Information card for entry 4115918

Structure parameters

• Formula: C33 H39 Cl4 N2 O4 P
• Calculated formula: C33 H36 Cl4 N2 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: 11.507 ± 0.007 Å
• b: 12.917 ± 0.002 Å
• c: 13.209 ± 0.005 Å
• α: 67.93 ± 0.05°
• β: 87.42 ± 0.04°
• γ: 84.94 ± 0.06°
• Cell volume: 1812.2 ± 1.5 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: 0.0621
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No