Information card for entry 4115908

Structure parameters

• Formula: C37 H42 Cl4 N O4 P
• Calculated formula: C37 H42 Cl4 N O4 P
• 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: 10.841 ± 0.002 Å
• b: 13.382 ± 0.003 Å
• c: 15.039 ± 0.003 Å
• α: 64.55 ± 0.03°
• β: 84.89 ± 0.03°
• γ: 70.72 ± 0.03°
• Cell volume: 1856 ± 0.9 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: 0.1542
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1523
• Weighted residual factors for all reflections included in the refinement: 0.2056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No