Crystallography Open Database

Information card for entry 4126294

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Structure parameters

Formula	C22 H40 B3 Br4 N O Si2
Calculated formula	C22 H40 B3 Br4 N O Si2
SMILES	B1(C(CC(=[B](B(Br)Br)(Br)Br)N1c1c(C(C)C)cccc1C(C)C)([Si](C)(C)C)[Si](C)(C)C)OC
Title of publication	Alkene-Carbene Isomerization induced by Borane: Access to an Asymmetrical Diborene.
Authors of publication	Lu, Wei; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
a	20.6001 ± 0.001 Å
b	9.5028 ± 0.0004 Å
c	18.7349 ± 0.0014 Å
α	90°
β	121.314 ± 0.0015°
γ	90°
Cell volume	3133.3 ± 0.3 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.1127
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.0921
Weighted residual factors for all reflections included in the refinement	0.1069
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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