Information card for entry 7107272

Structure parameters

• Formula: C25 H22
• Calculated formula: C25 H22
• SMILES: CC12[C@H]3c4ccccc4[C@@H]1c1cccc(c1C2c1c3cccc1C)C.CC12[C@@H]3c4ccccc4[C@H]1c1cccc(c1C2c1c3cccc1C)C
• Title of publication: Ortho-methylated tribenzotriquinacenes - paving the way to curved carbon networks
• Authors of publication: Yvonne Kirchwehm; Alexander Damme; Thomas Kupfer; Holger Braunschweig; Anke Krueger
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 1502
• a: 9.6681 ± 0.0009 Å
• b: 23.199 ± 0.002 Å
• c: 15.913 ± 0.0014 Å
• α: 90°
• β: 104.037 ± 0.004°
• γ: 90°
• Cell volume: 3462.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0653
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No