Crystallography Open Database

Information card for entry 4317917

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Structure parameters

Formula	C35 H44 Cl4 N O4 P
Calculated formula	C35 H44 Cl4 N O4 P
SMILES	Clc1c2OP3(Oc4c(cc(cc4Cc4cc(cc(c4O3)C(C)(C)C)C)C)C(C)(C)C)(Oc2c(Cl)c(Cl)c1Cl)N(C(C)C)C(C)C
Title of publication	Apical versus Equatorial Disposition of Substituents in Tetraoxyphosphoranes Bearing a 1,3,2-Dioxaphosphocin Ring: Implications on Apicophilicity in Trigonal Bipyramidal Phosphorus
Authors of publication	Praveen Kommana; Sudha Kumaraswamy; J. J. Vittal; K. C. Kumara Swamy
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	2356 - 2363
a	22.4934 ± 0.0011 Å
b	16.9072 ± 0.0008 Å
c	20.7734 ± 0.001 Å
α	90°
β	114.599 ± 0.001°
γ	90°
Cell volume	7183.1 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0714
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1265
Weighted residual factors for all reflections included in the refinement	0.1345
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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