Information card for entry 4022922

Structure parameters

• Formula: C46 H24 Cl2 N6 O4
• Calculated formula: C46 H24 Cl2 N6 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: 41.277 ± 0.015 Å
• b: 19.829 ± 0.006 Å
• c: 29.101 ± 0.01 Å
• α: 90°
• β: 119.396 ± 0.004°
• γ: 90°
• Cell volume: 20752 ± 12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1716
• Residual factor for significantly intense reflections: 0.0835
• Weighted residual factors for significantly intense reflections: 0.2176
• Weighted residual factors for all reflections included in the refinement: 0.2605
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No