Information card for entry 4023553

Structure parameters

• Formula: C66 H60
• Calculated formula: C66 H60
• SMILES: c1(cc2c3ccc(cc3)c3ccc(c4c(cc(CC)c(c4)CC)c4ccc(cc4)c4ccc(c5c(cc(CC)c(c5)CC)c5ccc(cc5)c5ccc(c2cc1CC)cc5)cc4)cc3)CC
• Title of publication: Synthesis of Nonaphenylenes and Dodecaphenylenes Using Electron-Transfer Oxidation of Lipshutz Cuprates and Formation of Nanostructural Materials from Hexadodecyloxynonaphenylene
• Authors of publication: M. Jalilur Rahman; Jun Yamakawa; Aoi Matsumoto; Hideo Enozawa; Tohru Nishinaga; Kenji Kamada; Masahiko Iyoda
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 5542 - 5548
• a: 17.9043 ± 0.0018 Å
• b: 17.9043 ± 0.0018 Å
• c: 28.214 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7832.7 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 2
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1523
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1612
• Weighted residual factors for all reflections included in the refinement: 0.1985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No