Crystallography Open Database

Information card for entry 4106421

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Coordinates	4106421.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H26 B P
Calculated formula	C18 H26 B P
SMILES	C(c1ccccc1)[P@@](c1c(cccc1)C)(C(C)(C)C)[BH3]
Title of publication	Bulky, Optically Active P-Stereogenic Phosphine-Boranes from Pure H-Menthylphosphinates
Authors of publication	David Gatineau; Laurent Giordano; Gérard Buono
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	10728 - 10731
a	9.2234 ± 0.0003 Å
b	14.0422 ± 0.0004 Å
c	13.6223 ± 0.0005 Å
α	90°
β	96.874 ± 0.001°
γ	90°
Cell volume	1751.63 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.143
Residual factor for significantly intense reflections	0.0783
Weighted residual factors for significantly intense reflections	0.2022
Weighted residual factors for all reflections included in the refinement	0.2556
Goodness-of-fit parameter for all reflections included in the refinement	1.115
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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