Crystallography Open Database

Information card for entry 1558166

Preview

Coordinates	1558166.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H49 Co N4 O3
Calculated formula	C55 H49 Co N4 O3
SMILES	[Co]123([n]4c5=C(c6n3c(C(=c3[n]2c(C(=c2n1c(=C(c4cc5)c1c(cc(cc1C)C)C)cc2)c1c(cc(cc1C)C)C)cc3)c1c(cc(cc1C)C)C)cc6)c1ccc(O)cc1)C(=O)OC
Title of publication	Tacticity control approached by visible-light induced organocobalt-mediated radical polymerization: the synthesis of crystalline poly(N,N-dimethylacrylamide) with high isotacticity
Authors of publication	Wu, Zhenqiang; Peng, Chi-How; Fu, Xuefeng
Journal of publication	Polymer Chemistry
Year of publication	2020
Journal volume	11
Journal issue	27
Pages of publication	4387 - 4395
a	26.2516 ± 0.0005 Å
b	26.2516 ± 0.0005 Å
c	26.8975 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	16052.9 ± 0.6 Å³
Cell temperature	179.98 ± 0.15 K
Ambient diffraction temperature	179.98 ± 0.15 K
Number of distinct elements	5
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Residual factor for all reflections	0.0872
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1205
Weighted residual factors for all reflections included in the refinement	0.139
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257933 (current)	2020-10-06	cif/ Updating files of 1558166 Original log message: Adding full bibliography for 1558166.cif.	1558166.cif
255108	2020-08-06	cif/ Updating files of 1558166 Original log message: Adding full bibliography for 1558166.cif.	1558166.cif
252564	2020-06-03	cif/ Adding structures of 1558166 via cif-deposit CGI script.	1558166.cif