Information card for entry 4022921

Structure parameters

• Formula: C52 H30 Cl8 N2 O4
• Calculated formula: C52 H30 Cl8 N2 O4
• Title of publication: Triptycene-Based Expanded Oxacalixarenes: Synthesis, Structure, and Tubular Assemblies in the Solid State
• Authors of publication: Chun Zhang; Chuan-Feng Chen
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 3880 - 3888
• a: 8.7116 ± 0.0017 Å
• b: 9.7063 ± 0.0019 Å
• c: 13.761 ± 0.003 Å
• α: 95.19 ± 0.03°
• β: 93.16 ± 0.03°
• γ: 96.43 ± 0.03°
• Cell volume: 1149 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1136
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1867
• Weighted residual factors for all reflections included in the refinement: 0.2136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No