Crystallography Open Database

Information card for entry 4083705

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Structure parameters

Formula	C11 H20 B P
Calculated formula	C11 H20 B P
Title of publication	Insights into the Formation of Borabenzene Adducts via Ligand Exchange Reactions and TMSCl Elimination from Boracyclohexadiene Precursors
Authors of publication	Légaré, Marc-André; Bélanger-Chabot, Guillaume; De Robillard, Guillaume; Languérand, André; Maron, Laurent; Fontaine, Frédéric-Georges
Journal of publication	Organometallics
Year of publication	2014
Pages of publication	140618164232002
a	28.277 ± 0.005 Å
b	6.1405 ± 0.0011 Å
c	17.939 ± 0.003 Å
α	90°
β	126.401 ± 0.002°
γ	90°
Cell volume	2507.1 ± 0.8 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0846
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1127
Weighted residual factors for all reflections included in the refinement	0.1297
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
301831 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure.	4083705.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4083705.cif
117902	2014-06-20	cif/ Adding structures of 4083703, 4083704, 4083705 via cif-deposit CGI script.	4083705.cif