Crystallography Open Database

Information card for entry 4334538

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Coordinates	4334538.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H42 B P
Calculated formula	C34 H42 B P
SMILES	[P]1([B](c2c3c1cccc3ccc2)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(C(C)C)C(C)C
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	16.923 ± 0.003 Å
b	11.311 ± 0.0017 Å
c	14.553 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2785.7 ± 0.8 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	0.1127
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.0936
Weighted residual factors for all reflections included in the refinement	0.1082
Goodness-of-fit parameter for all reflections included in the refinement	0.884
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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