Information card for entry 4505419

Structure parameters

• Formula: C69 H61 N4 O9
• Calculated formula: C69 H61 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: 13.351 ± 0.005 Å
• b: 14.049 ± 0.005 Å
• c: 16.71 ± 0.005 Å
• α: 99.954 ± 0.013°
• β: 93.399 ± 0.012°
• γ: 100.875 ± 0.013°
• Cell volume: 3017.9 ± 1.8 ų
• Cell temperature: 90 ± 1 K
• Ambient diffraction temperature: 90 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2315
• Residual factor for significantly intense reflections: 0.1163
• Weighted residual factors for significantly intense reflections: 0.2831
• Weighted residual factors for all reflections included in the refinement: 0.4017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No