Crystallography Open Database

Information card for entry 1546769

Preview

Coordinates	1546769.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H56 Co N3 O3
Calculated formula	C40 H56 Co N3 O3
SMILES	[Co]123(Oc4c(cc(cc4C=[N]2[C@@H]2CCCC[C@H]2[N]3=Cc2cc(cc(c2O1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(=O)NCC#C.[Co]123(Oc4c(cc(cc4C=[N]2[C@H]2CCCC[C@@H]2[N]3=Cc2cc(cc(c2O1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(=O)NCC#C
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	10.784 ± 0.003 Å
b	12.609 ± 0.004 Å
c	14.442 ± 0.002 Å
α	98.614 ± 0.005°
β	96.546 ± 0.003°
γ	105.985 ± 0.005°
Cell volume	1841.5 ± 0.8 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.078
Residual factor for significantly intense reflections	0.0763
Weighted residual factors for significantly intense reflections	0.1735
Weighted residual factors for all reflections included in the refinement	0.1744
Goodness-of-fit parameter for all reflections included in the refinement	1.22
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.	1546769.cif