Crystallography Open Database

Information card for entry 4089120

Preview

Coordinates	4089120.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H34 B Cl N P
Calculated formula	C22 H34 B Cl N P
SMILES	ClB(N(C(C)C)C(C)C)c1c2c(P(C(C)C)C(C)C)cccc2ccc1
Title of publication	Amino and Alkyl B-Substituted P-Stabilized Borenium Salts
Authors of publication	Devillard, Marc; Bouhadir, Ghenwa; Mallet-Ladeira, Sonia; Miqueu, Karinne; Bourissou, Didier
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	21
Pages of publication	3788
a	8.159 ± 0.0005 Å
b	13.4167 ± 0.0007 Å
c	10.9519 ± 0.0006 Å
α	90°
β	110.021 ± 0.004°
γ	90°
Cell volume	1126.42 ± 0.11 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0297
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0591
Weighted residual factors for all reflections included in the refinement	0.0611
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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