Information card for entry 4126437

Structure parameters

• Formula: C145 H86 B3 Cl2 F6 N9
• Calculated formula: C145 H86 B3 Cl2 F6 N9
• 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: 14.3058 ± 0.0006 Å
• b: 14.5681 ± 0.0005 Å
• c: 28.6607 ± 0.0012 Å
• α: 89.927 ± 0.003°
• β: 79.223 ± 0.004°
• γ: 64.79 ± 0.004°
• Cell volume: 5288.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1142
• Residual factor for significantly intense reflections: 0.0901
• Weighted residual factors for significantly intense reflections: 0.2475
• Weighted residual factors for all reflections included in the refinement: 0.2645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No