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Supplementary Data
Conjugated dyes carrying N, N-dialkylamino and ketone groups: one-component visible
light Norrish type II photoinitiators
Ge Ding, Chuan Jing, Xiaozhuan Qin, Yulong Gong, Xueping Zhang, Shengtao Zhang1,2*, Ziping Luo1,2*, Hongru Li1,2*, Fang Gao1,2*
1College of Chemistry and Chemical Engineering, Chongqing University, Chongqing, China, 400044
2National-municipal Joint Engineering Labrotory for Chemical Process Intensification and Reaction, Chongqing University, Chongqing,
China, 400044
Tel/Fax: 86-23-65102531, Emails: [email protected], [email protected], [email protected], [email protected]
Figure S1
Figure S1 The representative 1H and 13C NMR spectra of C1 in CDCl3 determined by 500 MHz NMR apparatus
Tables S1~S4
X-Ray analysis of C1：
Table S1 Atomic coordinates of C1Number Label Charge SybylType Xfrac + ESD Yfrac + ESD Zfrac + ESD Symm. op.
1 N2 0 N.3 0.5482(6) 0.4534(4) 0.37358(11) x,y,z
2 O2 0 O.2 0.5167(7) 0.9579(3) 0.67237(9) x,y,z
3 C24 0 C.2 0.5174(7) 0.8554(5) 0.66706(13) x,y,z
4 C25 0 C.2 0.5272(7) 0.8125(5) 0.63125(13) x,y,z
5 C26 0 C.2 0.4594(7) 0.8770(5) 0.60476(13) x,y,z
6 H26 0 H 0.4118 0.9473 0.61 x,y,z
7 C27 0 C.2 0.4597(8) 0.8413(5) 0.57086(15) x,y,z
8 H27 0 H 0.4111 0.8869 0.5538 x,y,z
9 C28 0 C.2 0.5310(8) 0.7391(5) 0.56203(12) x,y,z
10 C29 0 C.2 0.6060(7) 0.6737(5) 0.58832(13) x,y,z
11 H29 0 H 0.6584 0.6051 0.5828 x,y,z
12 C30 0 C.2 0.6029(7) 0.7101(5) 0.62229(14) x,y,z
13 H30 0 H 0.6523 0.6653 0.6394 x,y,z
14 C31 0 C.2 0.5227(7) 0.7019(5) 0.52581(14) x,y,z
15 H31 0 H 0.4775 0.7538 0.5101 x,y,z
16 C32 0 C.2 0.5711(7) 0.6049(5) 0.51298(14) x,y,z
17 H32 0 H 0.6216 0.5539 0.5283 x,y,z
18 C33 0 C.2 0.5543(7) 0.5672(5) 0.47670(14) x,y,z
19 C34 0 C.2 0.4733(7) 0.6288(5) 0.45130(13) x,y,z
20 H34 0 H 0.4207 0.6971 0.4571 x,y,z
21 C35 0 C.2 0.4678(7) 0.5920(5) 0.41716(13) x,y,z
22 H35 0 H 0.4089 0.6344 0.4007 x,y,z
23 C36 0 C.2 0.5502(7) 0.4920(5) 0.40752(13) x,y,z
24 C37 0 C.2 0.6272(7) 0.4278(5) 0.43340(13) x,y,z
25 H37 0 H 0.6774 0.3583 0.4281 x,y,z
26 C38 0 C.2 0.6290(7) 0.4674(5) 0.46709(14) x,y,z
27 H38 0 H 0.6836 0.4241 0.484 x,y,z
28 C39 0 C.2 0.5049(7) 0.7770(4) 0.69667(12) x,y,z
29 C40 0 C.2 0.5723(7) 0.8113(5) 0.72827(13) x,y,z
30 H40 0 H 0.6332 0.879 0.7301 x,y,z
31 C41 0 C.2 0.5474(8) 0.7431(6) 0.75720(14) x,y,z
32 H41 0 H 0.5928 0.7659 0.7784 x,y,z
33 C42 0 C.2 0.4577(8) 0.6431(5) 0.75530(15) x,y,z
34 H42 0 H 0.442 0.5983 0.7749 x,y,z
35 C43 0 C.2 0.3919(8) 0.6108(5) 0.72412(14) x,y,z
36 H43 0 H 0.3295 0.5437 0.7224 x,y,z
37 C44 0 C.2 0.4169(7) 0.6763(5) 0.69523(13) x,y,z
38 H44 0 H 0.3731 0.6517 0.6741 x,y,z
39 C45 0 C.3 0.4931(9) 0.5266(5) 0.34586(12) x,y,z
40 H45A 0 H 0.3759 0.5495 0.3498 x,y,z
41 H45B 0 H 0.5007 0.4866 0.3243 x,y,z
42 H45C 0 H 0.5659 0.5923 0.3451 x,y,z
43 C46 0 C.3 0.6536(8) 0.3592(5) 0.36309(14) x,y,z
44 H46A 0 H 0.7638 0.3639 0.3743 x,y,z
45 H46B 0 H 0.6694 0.3611 0.3384 x,y,z
46 H46C 0 H 0.5979 0.2895 0.3695 x,y,z
Table S2 Bond length of C1 (Å)Number Atom1 Atom2 Type Polymeric Length SybylType
1 N2 C36 Unknown no 1.388(7) 1
2 N2 C45 Unknown no 1.440(7) 1
3 N2 C46 Unknown no 1.438(8) 1
4 O2 C24 Unknown no 1.227(7) 2
5 C24 C25 Unknown no 1.475(7) un
6 C24 C39 Unknown no 1.474(7) un
7 C25 C26 Unknown no 1.379(8) un
8 C25 C30 Unknown no 1.387(8) un
9 C26 H26 Unknown no 0.930(6) 1
10 C26 C27 Unknown no 1.376(8) un
11 C27 H27 Unknown no 0.930(6) 1
12 C27 C28 Unknown no 1.370(8) un
13 C28 C29 Unknown no 1.402(8) un
14 C28 C31 Unknown no 1.468(7) un
15 C29 H29 Unknown no 0.930(6) 1
16 C29 C30 Unknown no 1.381(7) un
17 C30 H30 Unknown no 0.929(6) 1
18 C31 H31 Unknown no 0.931(6) 1
19 C31 C32 Unknown no 1.302(8) un
20 C32 H32 Unknown no 0.930(6) 1
21 C32 C33 Unknown no 1.476(8) un
22 C33 C34 Unknown no 1.373(8) un
23 C33 C38 Unknown no 1.364(8) un
24 C34 H34 Unknown no 0.930(6) 1
25 C34 C35 Unknown no 1.389(7) un
26 C35 H35 Unknown no 0.929(5) 1
27 C35 C36 Unknown no 1.392(8) un
28 C36 C37 Unknown no 1.389(8) un
29 C37 H37 Unknown no 0.930(6) 1
30 C37 C38 Unknown no 1.383(7) un
31 C38 H38 Unknown no 0.931(6) 1
32 C39 C40 Unknown no 1.388(7) un
33 C39 C44 Unknown no 1.371(8) un
34 C40 H40 Unknown no 0.931(6) 1
35 C40 C41 Unknown no 1.391(8) un
36 C41 H41 Unknown no 0.931(6) 1
37 C41 C42 Unknown no 1.371(9) un
38 C42 H42 Unknown no 0.931(6) 1
39 C42 C43 Unknown no 1.362(8) un
40 C43 H43 Unknown no 0.930(6) 1
41 C43 C44 Unknown no 1.371(8) un
42 C44 H44 Unknown no 0.930(5) 1
43 C45 H45A Unknown no 0.960(7) 1
44 C45 H45B Unknown no 0.959(5) 1
45 C45 H45C Unknown no 0.959(6) 1
46 C46 H46A Unknown no 0.960(6) 1
47 C46 H46B Unknown no 0.962(5) 1
48 C46 H46C Unknown no 0.961(6) 1
Table S3 Bond angle of C1 (○)
Number Atom1 Atom2 Atom3 Angle Number Atom1 Atom2 Atom3 Angle
1 C13 N1 C22 120.1(5) 79 C36 N2 C45 120.6(5)
2 C13 N1 C23 120.1(5) 80 C36 N2 C46 120.9(5)
3 C22 N1 C23 118.6(5) 81 C45 N2 C46 115.0(4)
4 O1 C1 C2 119.8(5) 82 O2 C24 C25 119.7(5)
5 O1 C1 C16 119.1(5) 83 O2 C24 C39 119.2(5)
6 C2 C1 C16 121.1(5) 84 C25 C24 C39 121.1(5)
7 C1 C2 C3 120.2(5) 85 C24 C25 C26 119.1(5)
8 C1 C2 C7 122.0(5) 86 C24 C25 C30 123.7(5)
9 C3 C2 C7 117.5(5) 87 C26 C25 C30 117.2(5)
10 C2 C3 H3 119.5(6) 88 C25 C26 H26 118.8(5)
11 C2 C3 C4 120.9(5) 89 C25 C26 C27 122.5(5)
12 H3 C3 C4 119.6(6) 90 H26 C26 C27 118.7(5)
13 C3 C4 H4 119.3(6) 91 C26 C27 H27 119.8(6)
14 C3 C4 C5 121.4(5) 92 C26 C27 C28 120.5(5)
15 H4 C4 C5 119.3(6) 93 H27 C27 C28 119.7(6)
16 C4 C5 C6 118.1(5) 94 C27 C28 C29 118.1(5)
17 C4 C5 C8 119.7(5) 95 C27 C28 C31 118.9(5)
18 C6 C5 C8 122.2(5) 96 C29 C28 C31 123.0(5)
19 C5 C6 H6 120.2(5) 97 C28 C29 H29 119.6(5)
20 C5 C6 C7 119.5(5) 98 C28 C29 C30 120.7(5)
21 H6 C6 C7 120.2(5) 99 H29 C29 C30 119.7(5)
22 C2 C7 C6 122.5(5) 100 C25 C30 C29 121.0(5)
23 C2 C7 H7 118.8(6) 101 C25 C30 H30 119.5(5)
24 C6 C7 H7 118.7(5) 102 C29 C30 H30 119.5(5)
25 C5 C8 H8 117.3(5) 103 C28 C31 H31 116.2(5)
26 C5 C8 C9 125.4(5) 104 C28 C31 C32 127.8(5)
27 H8 C8 C9 117.4(5) 105 H31 C31 C32 116.0(6)
28 C8 C9 H9 116.4(5) 106 C31 C32 H32 116.6(6)
29 C8 C9 C10 127.2(5) 107 C31 C32 C33 126.9(5)
30 H9 C9 C10 116.4(5) 108 H32 C32 C33 116.5(5)
31 C9 C10 C11 118.5(5) 109 C32 C33 C34 124.0(5)
32 C9 C10 C15 123.8(5) 110 C32 C33 C38 118.8(5)
33 C11 C10 C15 117.7(5) 111 C34 C33 C38 117.2(5)
34 C10 C11 H11 119.2(5) 112 C33 C34 H34 119.1(5)
35 C10 C11 C12 121.6(5) 113 C33 C34 C35 121.8(5)
36 H11 C11 C12 119.3(5) 114 H34 C34 C35 119.1(5)
37 C11 C12 H12 119.5(5) 115 C34 C35 H35 119.8(5)
38 C11 C12 C13 121.1(5) 116 C34 C35 C36 120.3(5)
39 H12 C12 C13 119.3(5) 117 H35 C35 C36 119.9(5)
40 N1 C13 C12 122.0(5) 118 N2 C36 C35 121.7(5)
41 N1 C13 C14 121.0(5) 119 N2 C36 C37 120.4(5)
42 C12 C13 C14 116.9(5) 120 C35 C36 C37 117.8(5)
43 C13 C14 H14 119.2(5) 121 C36 C37 H37 120.1(5)
44 C13 C14 C15 121.4(5) 122 C36 C37 C38 119.8(5)
45 H14 C14 C15 119.4(6) 123 H37 C37 C38 120.0(5)
46 C10 C15 C14 121.3(5) 124 C33 C38 C37 122.9(5)
47 C10 C15 H15 119.3(5) 125 C33 C38 H38 118.4(6)
48 C14 C15 H15 119.5(6) 126 C37 C38 H38 118.7(5)
49 C1 C16 C17 119.0(5) 127 C24 C39 C40 118.3(5)
50 C1 C16 C21 121.9(5) 128 C24 C39 C44 123.0(5)
51 C17 C16 C21 119.0(5) 129 C40 C39 C44 118.4(5)
52 C16 C17 H17 119.5(6) 130 C39 C40 H40 120.5(5)
53 C16 C17 C18 121.0(6) 131 C39 C40 C41 119.1(5)
54 H17 C17 C18 119.5(6) 132 H40 C40 C41 120.4(6)
55 C17 C18 H18 119.8(7) 133 C40 C41 H41 119.2(6)
56 C17 C18 C19 120.4(6) 134 C40 C41 C42 121.7(6)
57 H18 C18 C19 119.8(7) 135 H41 C41 C42 119.2(6)
58 C18 C19 H19 120.8(6) 136 C41 C42 H42 120.7(6)
59 C18 C19 C20 118.5(6) 137 C41 C42 C43 118.5(6)
60 H19 C19 C20 120.7(6) 138 H42 C42 C43 120.7(6)
61 C19 C20 H20 119.4(6) 139 C42 C43 H43 119.7(6)
62 C19 C20 C21 121.2(6) 140 C42 C43 C44 120.6(5)
63 H20 C20 C21 119.4(6) 141 H43 C43 C44 119.7(6)
64 C16 C21 C20 119.8(5) 142 C39 C44 C43 121.7(5)
65 C16 C21 H21 120.0(6) 143 C39 C44 H44 119.2(5)
66 C20 C21 H21 120.2(6) 144 C43 C44 H44 119.1(5)
67 N1 C22 H22A 109.5(5) 145 N2 C45 H45A 109.4(5)
68 N1 C22 H22B 109.6(5) 146 N2 C45 H45B 109.4(5)
69 N1 C22 H22C 109.4(5) 147 N2 C45 H45C 109.4(5)
70 H22A C22 H22B 109.4(6) 148 H45A C45 H45B 109.5(6)
71 H22A C22 H22C 109.5(6) 149 H45A C45 H45C 109.5(6)
72 H22B C22 H22C 109.4(6) 150 H45B C45 H45C 109.6(6)
73 N1 C23 H23A 109.5(5) 151 N2 C46 H46A 109.5(5)
74 N1 C23 H23B 109.5(5) 152 N2 C46 H46B 109.5(5)
75 N1 C23 H23C 109.5(5) 153 N2 C46 H46C 109.5(5)
76 H23A C23 H23B 109.5(6) 154 H46A C46 H46B 109.4(6)
77 H23A C23 H23C 109.4(6) 155 H46A C46 H46C 109.5(6)
78 H23B C23 H23C 109.4(6) 156 H46B C46 H46C 109.4(6)
Table S4 Torsion angle of C1 (○)Number Atom1 Atom2 Atom3 Atom4 Torsion Number Atom1 Atom2 Atom3 Atom4 Torsion
1 C22 N1 C13 C12 174.1(5) 109 C45 N2 C36 C35 13.4(8)
2 C22 N1 C13 C14 -7.4(8) 110 C45 N2 C36 C37 -170.3(5)
3 C23 N1 C13 C12 6.7(8) 111 C46 N2 C36 C35 171.1(5)
4 C23 N1 C13 C14 -174.8(5) 112 C46 N2 C36 C37 -12.5(8)
5 C13 N1 C22 H22A 174.1(5) 113 C36 N2 C45 H45A -60.5(7)
6 C13 N1 C22 H22B 54.1(7) 114 C36 N2 C45 H45B 179.6(5)
7 C13 N1 C22 H22C -65.8(7) 115 C36 N2 C45 H45C 59.5(7)
8 C23 N1 C22 H22A -18.2(7) 116 C46 N2 C45 H45A 140.5(5)
9 C23 N1 C22 H22B -138.3(5) 117 C46 N2 C45 H45B 20.6(7)
10 C23 N1 C22 H22C 101.8(6) 118 C46 N2 C45 H45C -99.5(6)
11 C13 N1 C23 H23A -60.1(7) 119 C36 N2 C46 H46A -39.2(7)
12 C13 N1 C23 H23B 179.9(5) 120 C36 N2 C46 H46B -159.2(5)
13 C13 N1 C23 H23C 59.9(7) 121 C36 N2 C46 H46C 80.8(7)
14 C22 N1 C23 H23A 132.3(5) 122 C45 N2 C46 H46A 119.7(5)
15 C22 N1 C23 H23B 12.2(7) 123 C45 N2 C46 H46B -0.3(7)
16 C22 N1 C23 H23C -107.8(6) 124 C45 N2 C46 H46C -120.2(5)
17 O1 C1 C2 C3 24.4(8) 125 O2 C24 C25 C26 -29.1(8)
18 O1 C1 C2 C7 -150.0(6) 126 O2 C24 C25 C30 150.3(6)
19 C16 C1 C2 C3 -157.1(5) 127 C39 C24 C25 C26 149.6(5)
20 C16 C1 C2 C7 28.5(8) 128 C39 C24 C25 C30 -31.0(8)
21 O1 C1 C16 C17 28.1(8) 129 O2 C24 C39 C40 -30.1(7)
22 O1 C1 C16 C21 -147.7(6) 130 O2 C24 C39 C44 144.1(6)
23 C2 C1 C16 C17 -150.4(5) 131 C25 C24 C39 C40 151.2(5)
24 C2 C1 C16 C21 33.8(8) 132 C25 C24 C39 C44 -34.7(8)
25 C1 C2 C3 H3 2.4(9) 133 C24 C25 C26 H26 1.8(8)
26 C1 C2 C3 C4 -177.6(5) 134 C24 C25 C26 C27 -178.3(5)
27 C7 C2 C3 H3 177.0(5) 135 C30 C25 C26 H26 -177.6(5)
28 C7 C2 C3 C4 -3.0(8) 136 C30 C25 C26 C27 2.3(8)
29 C1 C2 C7 C6 176.6(5) 137 C24 C25 C30 C29 179.1(5)
30 C1 C2 C7 H7 -3.3(9) 138 C24 C25 C30 H30 -0.9(9)
31 C3 C2 C7 C6 2.1(8) 139 C26 C25 C30 C29 -1.5(8)
32 C3 C2 C7 H7 -177.9(5) 140 C26 C25 C30 H30 178.5(5)
33 C2 C3 C4 H4 -177.5(6) 141 C25 C26 C27 H27 179.0(6)
34 C2 C3 C4 C5 2.5(9) 142 C25 C26 C27 C28 -0.9(9)
35 H3 C3 C4 H4 2.5(9) 143 H26 C26 C27 H27 -1.0(9)
36 H3 C3 C4 C5 -177.5(5) 144 H26 C26 C27 C28 179.0(6)
37 C3 C4 C5 C6 -0.9(8) 145 C26 C27 C28 C29 -1.2(9)
38 C3 C4 C5 C8 -179.0(5) 146 C26 C27 C28 C31 177.6(5)
39 H4 C4 C5 C6 179.1(5) 147 H27 C27 C28 C29 178.8(6)
40 H4 C4 C5 C8 1.0(9) 148 H27 C27 C28 C31 -2.4(9)
41 C4 C5 C6 H6 180.0(5) 149 C27 C28 C29 H29 -178.0(5)
42 C4 C5 C6 C7 0.0(8) 150 C27 C28 C29 C30 2.0(8)
43 C8 C5 C6 H6 -2.0(9) 151 C31 C28 C29 H29 3.2(9)
44 C8 C5 C6 C7 178.1(5) 152 C31 C28 C29 C30 -176.8(5)
45 C4 C5 C8 H8 -5.1(8) 153 C27 C28 C31 H31 5.6(8)
46 C4 C5 C8 C9 174.9(6) 154 C27 C28 C31 C32 -174.5(6)
47 C6 C5 C8 H8 176.9(5) 155 C29 C28 C31 H31 -175.7(5)
48 C6 C5 C8 C9 -3.1(9) 156 C29 C28 C31 C32 4.3(9)
49 C5 C6 C7 C2 -0.6(9) 157 C28 C29 C30 C25 -0.6(8)
50 C5 C6 C7 H7 179.3(5) 158 C28 C29 C30 H30 179.4(5)
51 H6 C6 C7 C2 179.4(5) 159 H29 C29 C30 C25 179.4(5)
52 H6 C6 C7 H7 -0.7(9) 160 H29 C29 C30 H30 -0.6(9)
53 C5 C8 C9 H9 -0.3(9) 161 C28 C31 C32 H32 -3(1)
54 C5 C8 C9 C10 179.7(5) 162 C28 C31 C32 C33 177.0(5)
55 H8 C8 C9 H9 179.6(5) 163 H31 C31 C32 H32 177.0(5)
56 H8 C8 C9 C10 -0.3(9) 164 H31 C31 C32 C33 -3.1(9)
57 C8 C9 C10 C11 -174.4(6) 165 C31 C32 C33 C34 -4.3(9)
58 C8 C9 C10 C15 3.5(9) 166 C31 C32 C33 C38 173.0(6)
59 H9 C9 C10 C11 5.6(8) 167 H32 C32 C33 C34 175.7(5)
60 H9 C9 C10 C15 -176.4(5) 168 H32 C32 C33 C38 -7.0(8)
61 C9 C10 C11 H11 -1.8(8) 169 C32 C33 C34 H34 -3.0(9)
62 C9 C10 C11 C12 178.1(5) 170 C32 C33 C34 C35 177.0(5)
63 C15 C10 C11 H11 -179.9(5) 171 C38 C33 C34 H34 179.7(5)
64 C15 C10 C11 C12 0.0(8) 172 C38 C33 C34 C35 -0.3(8)
65 C9 C10 C15 C14 -177.7(5) 173 C32 C33 C38 C37 -176.9(5)
66 C9 C10 C15 H15 2.3(9) 174 C32 C33 C38 H38 3.1(9)
67 C11 C10 C15 C14 0.3(8) 175 C34 C33 C38 C37 0.6(8)
68 C11 C10 C15 H15 -179.7(5) 176 C34 C33 C38 H38 -179.4(5)
69 C10 C11 C12 H12 179.0(5) 177 C33 C34 C35 H35 178.0(5)
70 C10 C11 C12 C13 -1.0(8) 178 C33 C34 C35 C36 -2.1(8)
71 H11 C11 C12 H12 -1.1(9) 179 H34 C34 C35 H35 -2.1(9)
72 H11 C11 C12 C13 178.9(5) 180 H34 C34 C35 C36 177.9(5)
73 C11 C12 C13 N1 -179.8(5) 181 C34 C35 C36 N2 -179.5(5)
74 C11 C12 C13 C14 1.6(8) 182 C34 C35 C36 C37 4.1(8)
75 H12 C12 C13 N1 0.2(9) 183 H35 C35 C36 N2 0.5(9)
76 H12 C12 C13 C14 -178.4(5) 184 H35 C35 C36 C37 -176.0(5)
77 N1 C13 C14 H14 0.2(9) 185 N2 C36 C37 H37 -0.3(9)
78 N1 C13 C14 C15 -179.9(5) 186 N2 C36 C37 C38 179.7(5)
79 C12 C13 C14 H14 178.8(5) 187 C35 C36 C37 H37 176.2(5)
80 C12 C13 C14 C15 -1.3(8) 188 C35 C36 C37 C38 -3.8(8)
81 C13 C14 C15 C10 0.4(9) 189 C36 C37 C38 C33 1.5(9)
82 C13 C14 C15 H15 -179.6(5) 190 C36 C37 C38 H38 -178.5(5)
83 H14 C14 C15 C10 -179.7(5) 191 H37 C37 C38 C33 -178.4(6)
84 H14 C14 C15 H15 0.3(9) 192 H37 C37 C38 H38 1.6(9)
85 C1 C16 C17 H17 2.7(9) 193 C24 C39 C40 H40 -5.9(8)
86 C1 C16 C17 C18 -177.3(6) 194 C24 C39 C40 C41 174.0(5)
87 C21 C16 C17 H17 178.6(6) 195 C44 C39 C40 H40 179.7(5)
88 C21 C16 C17 C18 -1.4(9) 196 C44 C39 C40 C41 -0.4(8)
89 C1 C16 C21 C20 176.1(5) 197 C24 C39 C44 C43 -173.0(5)
90 C1 C16 C21 H21 -3.9(9) 198 C24 C39 C44 H44 7.1(9)
91 C17 C16 C21 C20 0.4(8) 199 C40 C39 C44 C43 1.2(8)
92 C17 C16 C21 H21 -179.6(6) 200 C40 C39 C44 H44 -178.7(5)
93 C16 C17 C18 H18 -178.3(6) 201 C39 C40 C41 H41 179.8(6)
94 C16 C17 C18 C19 2(1) 202 C39 C40 C41 C42 -0.2(9)
95 H17 C17 C18 H18 2(1) 203 H40 C40 C41 H41 -0(1)
96 H17 C17 C18 C19 -178.3(6) 204 H40 C40 C41 C42 179.8(6)
97 C17 C18 C19 H19 179.2(6) 205 C40 C41 C42 H42 -180.0(6)
98 C17 C18 C19 C20 -1(1) 206 C40 C41 C42 C43 -0.0(9)
99 H18 C18 C19 H19 -1(1) 207 H41 C41 C42 H42 0(1)
100 H18 C18 C19 C20 179.2(6) 208 H41 C41 C42 C43 180.0(6)
101 C18 C19 C20 H20 179.9(6) 209 C41 C42 C43 H43 -179.2(6)
102 C18 C19 C20 C21 -0.2(9) 210 C41 C42 C43 C44 0.8(9)
103 H19 C19 C20 H20 -0(1) 211 H42 C42 C43 H43 1(1)
104 H19 C19 C20 C21 179.7(6) 212 H42 C42 C43 C44 -179.3(6)
105 C19 C20 C21 C16 0.4(9) 213 C42 C43 C44 C39 -1.4(9)
106 C19 C20 C21 H21 -179.6(6) 214 C42 C43 C44 H44 178.5(6)
107 H20 C20 C21 C16 -179.6(6) 215 H43 C43 C44 C39 178.6(5)
108 H20 C20 C21 H21 0(1) 216 H43 C43 C44 H44 -1.5(9)