Crystallography Open Database

Information card for entry 1558265

Preview

Coordinates	1558265.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H39 Co N4 O4
Calculated formula	C45 H39 Co N4 O4
Title of publication	Mechanistic details of the cobalt-mediated dehydrogenative dimerization of aminoquinoline-directed benzamides.
Authors of publication	Xu, Li-Ping; Liu, Elaine E. L.-N.; Bacsa, John; MacBeth, Cora E.; Musaev, Djamaladdin G.
Journal of publication	Chemical science
Year of publication	2020
Journal volume	11
Journal issue	23
Pages of publication	6085 - 6096
a	10.9148 ± 0.0002 Å
b	12.216 ± 0.0002 Å
c	14.515 ± 0.0003 Å
α	77.378 ± 0.002°
β	74.686 ± 0.002°
γ	89.375 ± 0.002°
Cell volume	1819.28 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0449
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.1085
Weighted residual factors for all reflections included in the refinement	0.1124
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
256047 (current)	2020-09-06	cif/ Updating files of 1558259, 1558260, 1558261, 1558262, 1558263, 1558264, 1558265 Original log message: Adding full bibliography for 1558259--1558265.cif.	1558265.cif
253847	2020-07-06	cif/ Updating files of 1558259, 1558260, 1558261, 1558262, 1558263, 1558264, 1558265 Original log message: Adding full bibliography for 1558259--1558265.cif.	1558265.cif
252963	2020-06-06	cif/ Adding structures of 1558259, 1558260, 1558261, 1558262, 1558263, 1558264, 1558265 via cif-deposit CGI script.	1558265.cif