Information card for entry 7107273

Structure parameters

• Formula: C29 H30
• Calculated formula: C29 H30
• SMILES: c12c(ccc(c1C1c3c(c(ccc3C)C)C3c4c(c(ccc4C)C)C2C13C)C)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: 12.2086 ± 0.0009 Å
• b: 13.1797 ± 0.001 Å
• c: 14.0845 ± 0.001 Å
• α: 70.585 ± 0.003°
• β: 76.79 ± 0.003°
• γ: 87.887 ± 0.003°
• Cell volume: 2079 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No