Crystallography Open Database

Information card for entry 4317916

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Structure parameters

Formula	C36 H38 Cl4 N O4 P
Calculated formula	C36 H38 Cl4 N O4 P
SMILES	P12(Oc3c(cc(cc3Cc3cc(cc(c3O1)C(C)(C)C)C)C)C(C)(C)C)(Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2)N(C)c1ccccc1
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	10.219 ± 0.0014 Å
b	11.192 ± 0.006 Å
c	17.157 ± 0.003 Å
α	105.74 ± 0.04°
β	101.57 ± 0.02°
γ	104.65 ± 0.03°
Cell volume	1749.3 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1076
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1498
Weighted residual factors for all reflections included in the refinement	0.2146
Goodness-of-fit parameter for all reflections included in the refinement	1.182
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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