Crystallography Open Database

Information card for entry 1567134

Preview

Coordinates	1567134.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H32 Co N5 O4 Sn
Calculated formula	C31 H34 Co N5 O4 Sn
Title of publication	Cobalt-catalyzed chemoselective dehydrogenation through radical translocation under visible light.
Authors of publication	Yu, Wan-Lei; Ren, Zi-Gang; Ma, Ke-Xing; Yang, Hui-Qing; Yang, Jun-Jie; Zheng, Haixue; Wu, Wangsuo; Xu, Peng-Fei
Journal of publication	Chemical science
Year of publication	2022
Journal volume	13
Journal issue	26
Pages of publication	7947 - 7954
a	15.0187 ± 0.0007 Å
b	14.1539 ± 0.0005 Å
c	30.0583 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	6389.6 ± 0.4 Å³
Cell temperature	275 ± 4 K
Ambient diffraction temperature	275 ± 4 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0733
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0759
Weighted residual factors for all reflections included in the refinement	0.0861
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation probe	x-ray
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
277105 (current)	2022-08-06	cif/ Updating files of 1567133, 1567134 Original log message: Adding full bibliography for 1567133--1567134.cif.	1567134.cif
276053	2022-06-16	cif/ Adding structures of 1567133, 1567134 via cif-deposit CGI script.	1567134.cif