Crystallography Open Database

Information card for entry 4124559

Preview

Coordinates	4124559.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H44 F3 O P2 Rh
Calculated formula	C34 H44 F3 O P2 Rh
Title of publication	Conclusive Evidence on the Mechanism of the Rhodium-Mediated Decyanative Borylation.
Authors of publication	Esteruelas, Miguel A.; Oliván, Montserrat; Vélez, Andrea
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	38
Pages of publication	12321 - 12329
a	15.142 ± 0.003 Å
b	7.5379 ± 0.0015 Å
c	14.685 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1676.1 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	31
Hermann-Mauguin space group symbol	P m n 21
Hall space group symbol	P 2ac -2
Residual factor for all reflections	0.0485
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1012
Weighted residual factors for all reflections included in the refinement	0.1047
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4124559.cif
159580	2015-10-05	cif/ Adding structures of 4124559 via cif-deposit CGI script.	4124559.cif