Information card for entry 4133563

Structure parameters

• Formula: C208 H136 F44 N8 O16
• Calculated formula: C208 H136 F44 N8 O16
• Title of publication: Three-Dimensional Fully Conjugated Carbaporphyrin Cage.
• Authors of publication: Ke, Xian-Sheng; Kim, Taeyeon; He, Qing; Lynch, Vincent M.; Kim, Dongho; Sessler, Jonathan L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 48
• Pages of publication: 16455 - 16459
• a: 40.02 ± 0.001 Å
• b: 14.0404 ± 0.0003 Å
• c: 43.5179 ± 0.0009 Å
• α: 90°
• β: 111.986 ± 0.003°
• γ: 90°
• Cell volume: 22674.3 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1301
• Residual factor for significantly intense reflections: 0.1032
• Weighted residual factors for significantly intense reflections: 0.2978
• Weighted residual factors for all reflections included in the refinement: 0.3306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No