Information card for entry 7107028

Structure parameters

• Formula: C73 H74 O9
• Calculated formula: C73 H74 O9
• Title of publication: Triptycene-derived calix[6]resorcinarene-like hosts: synthesis, structure and self-assemblies in the solid state
• Authors of publication: Peng-Fei Li; Chuan-Feng Chen
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 12170
• a: 12.531 ± 0.003 Å
• b: 38.597 ± 0.008 Å
• c: 14.299 ± 0.002 Å
• α: 90°
• β: 97.405 ± 0.002°
• γ: 90°
• Cell volume: 6858 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.1339
• Residual factor for significantly intense reflections: 0.1167
• Weighted residual factors for significantly intense reflections: 0.3025
• Weighted residual factors for all reflections included in the refinement: 0.314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No