Information card for entry 7154072

Structure parameters

• Formula: C39 H32 N2 O5
• Calculated formula: C39 H32 N2 O5
• 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: 12.7675 ± 0.0002 Å
• b: 31.0308 ± 0.0005 Å
• c: 7.5593 ± 0.0001 Å
• α: 90°
• β: 93.996 ± 0.001°
• γ: 90°
• Cell volume: 2987.61 ± 0.08 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: 0.065
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No