Information card for entry 7116368

Structure parameters

• Common name: DAP1
• Chemical name: 7,16-Bis(4-nonylphenyl) dianthraceno[a,e]pentalene
• Formula: C62 H60
• Calculated formula: C62.006 H60.028
• Title of publication: Dianthraceno[a,e]pentalenes: synthesis, crystallographic structures and applications in organic field-effect transistors
• Authors of publication: Gaole Dai; Jingjing Chang; Wenhua Zhang; Shiqiang Bai; Kuo-Wei Huang; Jianwei Xu; Chunyan Chi
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 503
• a: 4.9784 ± 0.0003 Å
• b: 11.3963 ± 0.0007 Å
• c: 19.9225 ± 0.0011 Å
• α: 95.603 ± 0.004°
• β: 92.746 ± 0.004°
• γ: 93.2 ± 0.004°
• Cell volume: 1121.54 ± 0.12 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: 0.109
• Residual factor for significantly intense reflections: 0.1023
• Weighted residual factors for significantly intense reflections: 0.2577
• Weighted residual factors for all reflections included in the refinement: 0.2621
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No