Crystallography Open Database

Information card for entry 7118006

Preview

Coordinates	7118006.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H38 B2 P2
Calculated formula	C24 H38 B2 P2
SMILES	[P]1(CC[P]([B](=[B]1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(C)C)(C)C
Title of publication	Synthesis of cyclic diborenes with unprecedented cis-configuration
Authors of publication	Philipp Bissinger; Holger Braunschweig; Mehmet Ali Celik; Christina Claes; Rian D. Dewhurst; Sebastian Endres; Hauke Kelch; Thomas Kramer; Ivo Krummenacher; Christoph Schneider
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	15917
a	9.367 ± 0.004 Å
b	15.172 ± 0.003 Å
c	17.348 ± 0.004 Å
α	90°
β	96.96 ± 0.02°
γ	90°
Cell volume	2447.3 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.05
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.1018
Weighted residual factors for all reflections included in the refinement	0.1089
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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.	7118006.cif
169759	2015-10-27	cif/ Adding structures of 7118006, 7118007, 7118008 via cif-deposit CGI script.	7118006.cif