Information card for entry 4321465

Structure parameters

• Formula: C29 H24 O4 Si
• Calculated formula: C29 H23 O4 Si
• 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: 10.751 ± 0.003 Å
• b: 17.892 ± 0.005 Å
• c: 11.774 ± 0.003 Å
• α: 90°
• β: 103.88 ± 0.02°
• γ: 90°
• Cell volume: 2198.7 ± 1.1 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1268
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections: 0.206
• Weighted residual factors for significantly intense reflections: 0.1668
• Goodness-of-fit parameter for all reflections: 1.041
• Goodness-of-fit parameter for significantly intense reflections: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No