Information card for entry 7106507

Structure parameters

• Common name: Octapropyl tetracene-1,2,3,4,7,8,9,10-octacarboxylate
• Chemical name: Octapropyl tetracene-1,2,3,4,7,8,9,10-octacarboxylate
• Formula: C50 H60 O16
• Calculated formula: C50 H60 O16
• 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: Chem.Commun.
• Year of publication: 2011
• Pages of publication: 6653
• a: 9.57 ± 0.002 Å
• b: 10.081 ± 0.002 Å
• c: 13.754 ± 0.002 Å
• α: 72.313 ± 0.004°
• β: 73.227 ± 0.004°
• γ: 73.558 ± 0.004°
• Cell volume: 1182.3 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.1546
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.2098
• Weighted residual factors for all reflections included in the refinement: 0.2587
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No