Crystallography Open Database

Information card for entry 4102629

Preview

Coordinates	4102629.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H50 B N2 P
Calculated formula	C31 H50 B N2 P
Title of publication	Borylated Methylenephosphonium Salts: Precursors of Elusive Boryl(phosphino)carbenes
Authors of publication	Florie Lavigne; Eddy Maerten; Gilles Alcaraz; Nathalie Saffon-Merceron; Carles Acosta-Silva; Vicenç Branchadell; Antoine Baceiredo
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	8864 - 8865
a	11.1594 ± 0.0004 Å
b	9.2248 ± 0.0004 Å
c	30.9493 ± 0.0012 Å
α	90°
β	98.917 ± 0.003°
γ	90°
Cell volume	3147.5 ± 0.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1721
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for significantly intense reflections	0.1403
Weighted residual factors for all reflections included in the refinement	0.1787
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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