Information card for entry 7116997

Structure parameters

• Formula: C70 H66 Cl4 N6 O4
• Calculated formula: C70 H66 Cl4 N6 O4
• Title of publication: Cyano- and chloro-substituted coronene diimides as solution-processable electron-transporting semiconductors
• Authors of publication: Chenhao Zhang; Ke Shi; Kang Cai; Jiajun Xie; Ting Lei; Qifan Yan; Jie-Yu Wang; Jian Pei; Dahui Zhao
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 7144
• a: 10.963 ± 0.002 Å
• b: 10.985 ± 0.002 Å
• c: 15.643 ± 0.003 Å
• α: 94.45 ± 0.03°
• β: 104.45 ± 0.03°
• γ: 119.51 ± 0.03°
• Cell volume: 1542 ± 0.8 ų
• Cell temperature: 248 ± 2 K
• Ambient diffraction temperature: 248 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1039
• Residual factor for significantly intense reflections: 0.0937
• Weighted residual factors for significantly intense reflections: 0.27
• Weighted residual factors for all reflections included in the refinement: 0.2784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.809
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No