Crystallography Open Database

Information card for entry 4324460

Preview

Coordinates	4324460.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H14 B F10 N
Calculated formula	C22 H14 B F10 N
SMILES	Fc1c(c(F)c(F)c(F)c1F)[B]1([N](C(c2c1cccc2)C)(C)C)c1c(F)c(F)c(F)c(F)c1F
Title of publication	Synthesis and Reactivity of o-Benzylphosphino- and o-α-Methylbenzyl(N,N-dimethyl)amine-Boranes
Authors of publication	Zachariah M. Heiden; Michael Schedler; Douglas W. Stephan
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	1470 - 1479
a	12.6394 ± 0.0004 Å
b	19.7683 ± 0.0007 Å
c	15.9329 ± 0.0005 Å
α	90°
β	91.982 ± 0.002°
γ	90°
Cell volume	3978.6 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.046
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0473
Weighted residual factors for all reflections included in the refinement	0.0508
Goodness-of-fit parameter for all reflections included in the refinement	0.89
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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