Information card for entry 7208028

Structure parameters

• Common name: 6,13-dichloropentacene
• Formula: C22 H12 Cl2
• Calculated formula: C22 H12 Cl2
• SMILES: c1(c2c(cc3c(cccc3)c2)c(c2c1cc1ccccc1c2)Cl)Cl
• Title of publication: High performance organic thin film transistor based on pentacene derivative: 6,13-dichloropentacene
• Authors of publication: Li, Jie; Wang, Mao; Ren, Shendong; Gao, Xike; Hong, Wei; Li, Hongxiang; Zhu, Daoben
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 21
• Pages of publication: 10496
• a: 3.8836 ± 0.0011 Å
• b: 18.718 ± 0.005 Å
• c: 10.383 ± 0.003 Å
• α: 90°
• β: 94.058 ± 0.005°
• γ: 90°
• Cell volume: 752.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No