Crystallography Open Database

Information card for entry 1546770

Preview

Coordinates	1546770.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H68 Co N3 O3
Calculated formula	C45 H68 Co N3 O3
SMILES	[Co]123(Oc4c(C=[N]2[C@H]2[C@H]([N]3=Cc3cc(cc(c3O1)C(C)(C)C)C(C)(C)C)CCCC2)cc(cc4C(C)(C)C)C(C)(C)C)C(=O)NC(C)C1CCCCC1.[Co]123(Oc4c(C=[N]2[C@@H]2[C@@H]([N]3=Cc3cc(cc(c3O1)C(C)(C)C)C(C)(C)C)CCCC2)cc(cc4C(C)(C)C)C(C)(C)C)C(=O)NC(C)C1CCCCC1
Title of publication	Visible-light-induced synthesis of polymers with versatile end groups mediated by organocobalt complexes
Authors of publication	Liu, Xu; Tian, Lei; Wu, Zhenqiang; Zhao, Xianyuan; Wang, Zikuan; Yu, Donggeng; Fu, Xuefeng
Journal of publication	Polym. Chem.
Year of publication	2017
a	16.383 ± 0.003 Å
b	10.7067 ± 0.0018 Å
c	23.844 ± 0.004 Å
α	90°
β	90.313 ± 0.003°
γ	90°
Cell volume	4182.4 ± 1.3 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.129
Residual factor for significantly intense reflections	0.1231
Weighted residual factors for significantly intense reflections	0.2472
Weighted residual factors for all reflections included in the refinement	0.25
Goodness-of-fit parameter for all reflections included in the refinement	1.253
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
199634 (current)	2017-08-08	cif/ Adding structures of 1546767, 1546768, 1546769, 1546770 via cif-deposit CGI script.	1546770.cif