Information card for entry 4126439

Structure parameters

• Formula: C92 H104 B3 Cl4 F6 N9
• Calculated formula: C84 H84 B3 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: 14.8595 ± 0.0013 Å
• b: 18.9278 ± 0.0017 Å
• c: 18.9885 ± 0.0016 Å
• α: 113.569 ± 0.003°
• β: 105.802 ± 0.003°
• γ: 100.532 ± 0.003°
• Cell volume: 4445.1 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1789
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.1821
• Weighted residual factors for all reflections included in the refinement: 0.2181
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No