Information card for entry 4126438

Structure parameters

• Formula: C228 H168 B6 F12 N18 O0.5
• Calculated formula: C228 H168 B6 F12 N18 O0.5
• Title of publication: Flattened Calixarene-Like Cyclic BODIPY Array: A New Photosynthetic Antenna Model.
• Authors of publication: Ke, Xian-Sheng; Kim, Taeyeon; Lynch, Vincent M.; Kim, Dongho; Sessler, Jonathan L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 18.5838 ± 0.001 Å
• b: 21.7474 ± 0.001 Å
• c: 23.3461 ± 0.0011 Å
• α: 90°
• β: 98.616 ± 0.005°
• γ: 90°
• Cell volume: 9328.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1701
• Residual factor for significantly intense reflections: 0.0957
• Weighted residual factors for significantly intense reflections: 0.2332
• Weighted residual factors for all reflections included in the refinement: 0.2926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No