Information card for entry 7107274

Structure parameters

• Formula: C29 H30
• Calculated formula: C29 H30
• SMILES: c12c(c(ccc1C)C)[C@H]1c3c(c(ccc3C)C)[C@H]3[C@@H]2c2c(c(ccc2C)C)[C@@]13C.c12c(c(ccc1C)C)[C@@H]1c3c(c(ccc3C)C)[C@@H]3[C@H]2c2c(c(ccc2C)C)[C@]13C
• 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: 9.7227 ± 0.0009 Å
• b: 9.7586 ± 0.0009 Å
• c: 23.813 ± 0.002 Å
• α: 98.641 ± 0.004°
• β: 95.323 ± 0.004°
• γ: 106.968 ± 0.004°
• Cell volume: 2114.1 ± 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: 0.0681
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1565
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No