Information card for entry 4505778

Structure parameters

• Formula: C79 H86 N3 O21
• Calculated formula: C79 H72 N3 O21
• Title of publication: Structural Variation and Supramolecular Isomerism in theC-Methylcalix[4]resorcinarene/Bipyridine System
• Authors of publication: Ma, Bao-Qing; Zhang, Yuegang; Coppens, Philip
• Journal of publication: Crystal Growth & Design
• Year of publication: 2002
• Journal volume: 2
• Journal issue: 1
• Pages of publication: 7 - 13
• a: 13.735 ± 0.002 Å
• b: 27.419 ± 0.006 Å
• c: 18.398 ± 0.004 Å
• α: 90°
• β: 109.087 ± 0.007°
• γ: 90°
• Cell volume: 6548 ± 2 ų
• Cell temperature: 90 ± 1 K
• Ambient diffraction temperature: 90 ± 1 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: 0.1927
• Residual factor for significantly intense reflections: 0.0937
• Weighted residual factors for significantly intense reflections: 0.2526
• Weighted residual factors for all reflections included in the refinement: 0.3065
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No