Information card for entry 7107275

Structure parameters

• Formula: C28 H28
• Calculated formula: C28 H28
• SMILES: C12C3c4c(C2c2c(C1c1c3c(ccc1C)C)c(ccc2C)C)c(ccc4C)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: 11.5014 ± 0.0004 Å
• b: 13.1875 ± 0.0005 Å
• c: 13.0975 ± 0.0006 Å
• α: 90°
• β: 102.852 ± 0.002°
• γ: 90°
• Cell volume: 1936.79 ± 0.13 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No