Crystallography Open Database

Information card for entry 4334537

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Coordinates	4334537.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H42 B P
Calculated formula	C28 H42 B P
Title of publication	Phosphino-Boryl-Naphthalenes: Geometrically Enforced, Yet Lewis Acid Responsive P →B Interactions
Authors of publication	Sébastien Bontemps; Marc Devillard; Sonia Mallet-Ladeira; Ghenwa Bouhadir; Karinne Miqueu; Didier Bourissou
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	4714 - 4720
a	22.3408 ± 0.0016 Å
b	11.4849 ± 0.0008 Å
c	9.6579 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2478 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.042
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0851
Weighted residual factors for all reflections included in the refinement	0.0895
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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