Information card for entry 4125647

Structure parameters

• Formula: C148 H160 Cl12
• Calculated formula: C148 H160 Cl12
• Title of publication: Impact of Shape Persistence on the Porosity of Molecular Cages.
• Authors of publication: Moneypenny, 2nd, Timothy P; Walter, Nathan P.; Cai, Zhikun; Miao, Yu-Run; Gray, Danielle L.; Hinman, Jordan J.; Lee, Semin; Zhang, Yang; Moore, Jeffrey S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 8
• Pages of publication: 3259 - 3264
• a: 25.0005 ± 0.001 Å
• b: 25.0005 ± 0.001 Å
• c: 48.793 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 26411 ± 1.8 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1925
• Weighted residual factors for all reflections included in the refinement: 0.1956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No