Information card for entry 4505422

Structure parameters

• Formula: C65 H58 N4 O9
• Calculated formula: C65 H48 N4 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: 22.824 ± 0.003 Å
• b: 25.799 ± 0.003 Å
• c: 36.354 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21407 ± 5 ų
• Cell temperature: 90 ± 1 K
• Ambient diffraction temperature: 90 ± 1 K
• Number of distinct elements: 4
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.1709
• Residual factor for significantly intense reflections: 0.0863
• Weighted residual factors for significantly intense reflections: 0.2177
• Weighted residual factors for all reflections included in the refinement: 0.2559
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No