Information card for entry 7154071

Structure parameters

• Formula: C42 H38 N2 O4
• Calculated formula: C42 H38 N2 O4
• SMILES: O=C1N(C(=O)c2c3c(cccc13)c1c3ccccc3c3c(cc4c5c(cccc35)C(=O)N(C4=O)CCCCCC)c1c2)CCCCCC
• Title of publication: Imides modified benzopicenes: synthesis, solid structure and optoelectronic properties.
• Authors of publication: Wu, Di; Ge, Haojie; Chen, Zhao; Liang, Jinhua; Huang, Jie; Zhang, Yufeng; Chen, Xiaoqiang; Meng, Xianggao; Liu, Sheng Hua; Yin, Jun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 44
• Pages of publication: 8902 - 8910
• a: 15.263 ± 0.003 Å
• b: 28.289 ± 0.005 Å
• c: 7.5628 ± 0.0013 Å
• α: 90°
• β: 93.171 ± 0.01°
• γ: 90°
• Cell volume: 3260.4 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.127
• Residual factor for significantly intense reflections: 0.1105
• Weighted residual factors for significantly intense reflections: 0.301
• Weighted residual factors for all reflections included in the refinement: 0.321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.412
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No