Information card for entry 4505421

Structure parameters

• Formula: C75 H76 N8 O10
• Calculated formula: C75 H60 N8 O10
• 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: 26.4564 ± 0.0018 Å
• b: 15.23 ± 0.002 Å
• c: 17.4736 ± 0.0016 Å
• α: 90°
• β: 114.671 ± 0.004°
• γ: 90°
• Cell volume: 6398 ± 1.1 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: 0.1104
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.2347
• Weighted residual factors for all reflections included in the refinement: 0.2675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No