Information card for entry 4321463

Structure parameters

• Formula: C50 H71 I6 O4 P
• Calculated formula: C50.01 H55 I6.01 O4 P
• Title of publication: Main-Group-Element Calix[4]arenes: Variable Coordination and Conformational Isomerism at Phosphorus and Silicon
• Authors of publication: Maomian Fan; Igor V. Shevchenko; R. Harmony Voorhies; Scott F. Eckert; Hongming Zhang; Michael Lattman
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4704 - 4712
• a: 13.328 ± 0.002 Å
• b: 21.56 ± 0.004 Å
• c: 20.72 ± 0.004 Å
• α: 90°
• β: 104.18 ± 0.01°
• γ: 90°
• Cell volume: 5772.5 ± 1.8 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1063
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections: 0.1971
• Weighted residual factors for significantly intense reflections: 0.1641
• Goodness-of-fit parameter for all reflections: 1.024
• Goodness-of-fit parameter for significantly intense reflections: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No