Information card for entry 4505775

Structure parameters

• Formula: C52 H48 N4 O8
• Calculated formula: C52 H32 N4 O8
• 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: 6.927 ± 0.0011 Å
• b: 10.8968 ± 0.0018 Å
• c: 14.735 ± 0.002 Å
• α: 101.312 ± 0.006°
• β: 100.335 ± 0.006°
• γ: 95.999 ± 0.004°
• Cell volume: 1061.6 ± 0.3 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: 0.1115
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1889
• Weighted residual factors for all reflections included in the refinement: 0.2147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No