Information card for entry 8000355

Structure parameters

• Formula: C32 H18
• Calculated formula: C32 H18
• Title of publication: Prolonged Charge Separated States in Twisted Stacks of All-Carbon Donor and Acceptor Chromophores.
• Authors of publication: Philip, Abbey M.; Mallia, Ajith R.; Hariharan, Mahesh
• Journal of publication: The journal of physical chemistry letters
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 22
• Pages of publication: 4751 - 4756
• a: 30.4984 ± 0.0011 Å
• b: 3.9613 ± 0.0002 Å
• c: 16.2415 ± 0.0006 Å
• α: 90°
• β: 92.412 ± 0.003°
• γ: 90°
• Cell volume: 1960.45 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 2
• 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: 0.1065
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No