Information card for entry 7106505

Structure parameters

• Common name: Octamethyl tetracene-1,2,3,4,7,8,9,10-octacarboxylate
• Chemical name: Octamethyl tetracene-1,2,3,4,7,8,9,10-octacarboxylate
• Formula: C34 H28 O16
• Calculated formula: C34 H28 O16
• SMILES: c1(c2c(c(C(=O)OC)c(c1C(=O)OC)C(=O)OC)cc1cc3c(c(c(c(c3cc1c2)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
• Title of publication: Octaalkyl tetracene-1,2,3,4,7,8,9,10-octacarboxylates: synthesis by twofold [2+2+2] cocyclization and crystallochromy
• Authors of publication: Chitoshi Kitamura; Akira Takenaka; Takeshi Kawase; Takashi Kobayashi; Hiroyoshi Naito
• Journal of publication: Chemical Communications
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 6653 - 6655
• a: 5.9021 ± 0.0002 Å
• b: 12.0619 ± 0.0003 Å
• c: 12.1167 ± 0.0009 Å
• α: 114.388 ± 0.008°
• β: 95.781 ± 0.007°
• γ: 95.404 ± 0.007°
• Cell volume: 772.81 ± 0.09 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No