Crystallography Open Database

Information card for entry 1529316

Preview

Coordinates	1529316.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H79 Co2 N9 O4
Calculated formula	C70 H79 Co2 N9 O4
Title of publication	Cobalt catalyzed sp3C‒H amination utilizing aryl azides
Authors of publication	Villanueva, Omar; Weldy, Nina Mace; Blakey, Simon B.; MacBeth, Cora E.
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	11
Pages of publication	6672
a	14.064 ± 0.003 Å
b	14.064 ± 0.003 Å
c	27.143 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	4649.5 ± 1.6 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	154
Hermann-Mauguin space group symbol	P 32 2 1
Hall space group symbol	P 32 2"
Residual factor for all reflections	0.1305
Residual factor for significantly intense reflections	0.0814
Weighted residual factors for significantly intense reflections	0.2058
Weighted residual factors for all reflections included in the refinement	0.2493
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
170996 (current)	2015-12-09	cif/ Updating files of 1529314, 1529315, 1529316 Original log message: Adding full bibliography for 1529314--1529316.cif.	1529316.cif
152646	2015-07-31	cif/ Adding structures of 1529314, 1529315, 1529316 via cif-deposit CGI script.	1529316.cif