Crystallography Open Database

Information card for entry 4078954

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Structure parameters

Formula	C24 H10 B F15
Calculated formula	C24 H10 B F15
SMILES	Fc1c(c(F)c(F)c(F)c1F)B(c1c(F)c(F)c(F)c(F)c1F)C(=C(CC)CC)c1c(F)c(F)c(F)c(F)c1F
Title of publication	Alkenylborane-Derived Frustrated Lewis Pairs: Metal-Free Catalytic Hydrogenation Reactions of Electron-Deficient Alkenes
Authors of publication	Reddy, J. Sreedhar; Xu, Bao-Hua; Mahdi, Tayseer; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	15
Pages of publication	5638
a	10.9155 ± 0.0007 Å
b	9.966 ± 0.0007 Å
c	11.6419 ± 0.0008 Å
α	90°
β	115.278 ± 0.002°
γ	90°
Cell volume	1145.18 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0356
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0655
Weighted residual factors for all reflections included in the refinement	0.0688
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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