Information card for entry 4505423

Structure parameters

• Formula: C74 H70 N5 O9
• Calculated formula: C74 H70 N5 O9
• Title of publication: Variable Conformation of Benzophenone in a Series of Resorcinarene-Based Supramolecular Frameworks
• Authors of publication: Ma, Bao-Qing; Coppens, Philip
• Journal of publication: Crystal Growth & Design
• Year of publication: 2004
• Journal volume: 4
• Journal issue: 6
• Pages of publication: 1377
• a: 43.736 ± 0.012 Å
• b: 12.632 ± 0.004 Å
• c: 28.391 ± 0.005 Å
• α: 90°
• β: 129.094 ± 0.009°
• γ: 90°
• Cell volume: 12174 ± 6 ų
• Cell temperature: 90 ± 1 K
• Ambient diffraction temperature: 90 ± 1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2081
• Residual factor for significantly intense reflections: 0.1063
• Weighted residual factors for significantly intense reflections: 0.1995
• Weighted residual factors for all reflections included in the refinement: 0.2488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No