Information card for entry 4124203

Structure parameters

• Formula: C58 H60.25 Br1.75 N2 O4
• Calculated formula: C58 H60.248 Br1.751 N2 O4
• Title of publication: Chiral Conjugated Corrals.
• Authors of publication: Ball, Melissa; Fowler, Brandon; Li, Panpan; Joyce, Leo A.; Li, Fang; Liu, Taifeng; Paley, Daniel; Zhong, Yu; Li, Hexing; Xiao, Shengxiong; Ng, Fay; Steigerwald, Michael L.; Nuckolls, Colin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 31
• Pages of publication: 9982 - 9987
• a: 8.68159 ± 0.00017 Å
• b: 41.9071 ± 0.001 Å
• c: 13.1842 ± 0.0002 Å
• α: 90°
• β: 97.815 ± 0.002°
• γ: 90°
• Cell volume: 4752.13 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.0768
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No