Information card for entry 1515484

Structure parameters

• Chemical name: syn-2,3;4,5;6,7;2,3;4,5;6,7-hexabenzoheptafulvalene
• Formula: C38 H24
• Calculated formula: C38 H24
• SMILES: C1(=C\2c3ccccc3c3ccccc3c3ccccc23)\c2ccccc2c2ccccc2c2ccccc12
• Title of publication: Switching of non-helical overcrowded tetrabenzoheptafulvalene derivatives
• Authors of publication: Luo, Jiye; Song, Kesheng; Gu, Feng long; Miao, Qian
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 10
• Pages of publication: 2029
• a: 10.0613 ± 0.0008 Å
• b: 15.6693 ± 0.0008 Å
• c: 17.3989 ± 0.0012 Å
• α: 90°
• β: 105.143 ± 0.008°
• γ: 90°
• Cell volume: 2647.8 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0793
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No