Crystallography Open Database

Information card for entry 1567133

Preview

Coordinates	1567133.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H21 N O2
Calculated formula	C17 H21 N O2
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	8.1149 ± 0.0002 Å
b	9.1915 ± 0.0003 Å
c	10.8628 ± 0.0004 Å
α	68.232 ± 0.003°
β	78.44 ± 0.002°
γ	81.264 ± 0.002°
Cell volume	734.51 ± 0.04 Å³
Cell temperature	300.58 ± 0.1 K
Ambient diffraction temperature	300.58 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.044
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.1138
Weighted residual factors for all reflections included in the refinement	0.1156
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	1567133.cif
276053	2022-06-16	cif/ Adding structures of 1567133, 1567134 via cif-deposit CGI script.	1567133.cif