Information card for entry 7109188

Structure parameters

• Chemical name: 2,7-dimethylcyclopenta[hi]aceanthrylene
• Formula: C20 H14
• Calculated formula: C20 H14
• SMILES: Cc1c2cccc3c2c(c2c4c3cc(C)c4ccc2)c1
• Title of publication: Ambipolar organic semiconductors from electron-accepting cyclopenta-fused anthracene
• Authors of publication: Hai Xia; Danqing Liu; Xiaomin Xua; Qian Miao
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 4301
• a: 10.2176 ± 0.0015 Å
• b: 10.4839 ± 0.0015 Å
• c: 12.215 ± 0.0017 Å
• α: 90°
• β: 92.507 ± 0.003°
• γ: 90°
• Cell volume: 1307.2 ± 0.3 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: 0.1124
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.1835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No