Crystallography Open Database

Information card for entry 4102777

Preview

Coordinates	4102777.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H53 N2 P
Calculated formula	C32 H53 N2 P
SMILES	P(N1C(CCCC1(C)C)(C)C)=C1N(C(CC21CCCCC2)(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	A Crystalline Phosphinyl Radical Cation
Authors of publication	Olivier Back; Mehmet Ali Celik; Gernot Frenking; Mohand Melaimi; Bruno Donnadieu; Guy Bertrand
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	10262 - 10263
a	15.7369 ± 0.001 Å
b	11.4071 ± 0.0007 Å
c	16.6528 ± 0.001 Å
α	90°
β	96.202 ± 0.001°
γ	90°
Cell volume	2971.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0647
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0764
Weighted residual factors for all reflections included in the refinement	0.0815
Goodness-of-fit parameter for all reflections included in the refinement	0.875
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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