Crystallography Open Database

Information card for entry 1571191

Preview

Coordinates	1571191.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H34 Co N O P
Calculated formula	C22 H34 Co N O P
Title of publication	Cobalt-catalyzed double hydroboration of pyridines
Authors of publication	Höeg, Finn; Luxenberger, Lea; Fedulin, Andrey; Jacobi von Wangelin, Axel
Journal of publication	Chemical Science
Year of publication	2024
Journal volume	15
Journal issue	14
Pages of publication	5201 - 5210
a	14.7865 ± 0.0005 Å
b	10.4516 ± 0.0003 Å
c	13.5026 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2086.73 ± 0.1 Å³
Cell temperature	99.96 ± 0.18 K
Ambient diffraction temperature	99.96 ± 0.18 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0596
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1122
Weighted residual factors for all reflections included in the refinement	0.1171
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation probe	x-ray
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
290875 (current)	2024-04-05	cif/ Updating files of 1571191, 1571192, 1571193, 1571194, 1571195 Original log message: Adding full bibliography for 1571191--1571195.cif.	1571191.cif
290412	2024-03-09	cif/ Adding structures of 1571191, 1571192, 1571193, 1571194, 1571195 via cif-deposit CGI script.	1571191.cif