Information card for entry 4115906

Structure parameters

• Formula: C38.5 H38 Cl5 O4 P S
• Calculated formula: C38.5 H34 Cl5 O4 P S
• Title of publication: Characterization of Stereoisomers of Spirophosphoranes Bearing an Eight-Membered Ring: Implications on Apicophilicity in Trigonal Bipyramidal Phosphorus
• Authors of publication: Sudha Kumaraswamy; C. Muthiah; K. C. Kumara Swamy
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 964 - 965
• a: 11.656 ± 0.006 Å
• b: 12.354 ± 0.009 Å
• c: 13.738 ± 0.004 Å
• α: 82.49 ± 0.03°
• β: 79.47 ± 0.03°
• γ: 85.56 ± 0.05°
• Cell volume: 1925.3 ± 1.8 ų
• 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: 0.106
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.1828
• Weighted residual factors for all reflections included in the refinement: 0.2435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No