Crystallography Open Database

Information card for entry 4068161

Preview

Coordinates	4068161.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H10 B F15 Si
Calculated formula	C22 H10 B F15 Si
SMILES	[Si](C(c1c(F)c(F)c(F)c(F)c1F)B(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(C)(C)C
Title of publication	Insertion Reactions of Diazomethanes and Electrophilic Boranes
Authors of publication	Neu, Rebecca C.; Stephan, Douglas W.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	1
Pages of publication	46
a	11.0719 ± 0.0006 Å
b	15.3825 ± 0.0008 Å
c	27.1192 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	4618.8 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0499
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0879
Weighted residual factors for all reflections included in the refinement	0.0947
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	No
Has F_obs	No

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