Crystallography Open Database

Information card for entry 7239215

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Structure parameters

Formula	C16 H17 N4 O P
Calculated formula	C16 H17 N4 O P
Title of publication	P-oxidation of gem-dicationic phosphines
Authors of publication	Maaliki, Carine; Canac, Yves; Lepetit, Christine; Duhayon, Carine; Chauvin, Remi
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	43
Pages of publication	20391
a	15.458 ± 0.0003 Å
b	9.54826 ± 0.00016 Å
c	20.432 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3015.7 ± 0.1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.031
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for all reflections	0.0428
Weighted residual factors for significantly intense reflections	0.0427
Weighted residual factors for all reflections included in the refinement	0.0425
Goodness-of-fit parameter for all reflections included in the refinement	0.9638
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301866 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure.	7239215.cif
244602	2019-11-28	cif/ Adding structures of 7239215, 7239216, 7239217, 7239218 via cif-deposit CGI script.	7239215.cif