Information card for entry 4317920

Structure parameters

• Formula: C33.5 H38 Cl4 N O4 P S
• Calculated formula: C33 H30 Cl4 N O4 P S
• 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: 9.563 ± 0.002 Å
• b: 12.993 ± 0.002 Å
• c: 15.994 ± 0.003 Å
• α: 72.986 ± 0.018°
• β: 78.85 ± 0.04°
• γ: 73.25 ± 0.03°
• Cell volume: 1806.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1357
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for significantly intense reflections: 0.2216
• Weighted residual factors for all reflections included in the refinement: 0.2582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No