Crystallography Open Database

Information card for entry 1551843

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Structure parameters

Formula	C32 H16 B F19 Si
Calculated formula	C32 H16 B F19 Si
SMILES	Fc1c(F)c(F)c(F)c(F)c1C1=C(c2c(F)c(F)c(F)c(F)c2F)c2c(c(F)c(F)c(F)c2F)[B]1(c1c(F)c(F)c(F)c(F)c1F)[H][Si](CC)(CC)CC
Title of publication	Direct observation of a borane-silane complex involved in frustrated Lewis-pair-mediated hydrosilylations
Authors of publication	Adrian Y. Houghton; Juha Hurmalainen; Akseli Mansikkamaki; Warren E. Piers; Heikki M. Tuononen
Journal of publication	Nature Chemistry
Year of publication	2014
Journal volume	6
Pages of publication	983 - 988
a	8.8644 ± 0.0006 Å
b	10.8121 ± 0.0007 Å
c	18.0451 ± 0.0012 Å
α	84.427 ± 0.004°
β	84.854 ± 0.004°
γ	70.356 ± 0.004°
Cell volume	1618.13 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0463
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.1152
Weighted residual factors for all reflections included in the refinement	0.1204
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1551843.cif
216464	2019-06-21	cif/ Adding structures of 1551843 via cif-deposit CGI script.	1551843.cif