Crystallography Open Database

Information card for entry 4123429

Preview

Coordinates	4123429.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H27 N O
Calculated formula	C31 H27 N O
Title of publication	C-h activation/functionalization catalyzed by simple, well-defined low-valent cobalt complexes.
Authors of publication	Fallon, Brendan J.; Derat, Etienne; Amatore, Muriel; Aubert, Corinne; Chemla, Fabrice; Ferreira, Franck; Perez-Luna, Alejandro; Petit, Marc
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	7
Pages of publication	2448 - 2451
a	8.3905 ± 0.0001 Å
b	11.9981 ± 0.0002 Å
c	12.9348 ± 0.0002 Å
α	69.247 ± 0.001°
β	80.694 ± 0.001°
γ	84.584 ± 0.001°
Cell volume	1200.66 ± 0.03 Å³
Cell temperature	200 ± 1 K
Ambient diffraction temperature	200 ± 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	0.0714
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1164
Weighted residual factors for all reflections included in the refinement	0.131
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
179036 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/34.	4123429.cif
132889	2015-03-04	cif/ Updating files of 4123423, 4123424, 4123425, 4123426, 4123427, 4123428, 4123429 Original log message: Adding full bibliography for 4123423--4123429.cif.	4123429.cif
131662	2015-02-11	cif/ Adding structures of 4123429 via cif-deposit CGI script.	4123429.cif