Information card for entry 1547162

Structure parameters

• Formula: C40 H52 O8
• Calculated formula: C40 H52 O8
• SMILES: O(C)c1cc2c3c(c1OCCCC)c1c(OCCCC)c(OC)cc4c1c(c3c(OCCCC)c(OC)c2)c(OCCCC)c(OC)c4
• Title of publication: Bay- and Ortho-Octasubstituted Perylenes.
• Authors of publication: Li, Youpeng; Hong, Youhua; Guo, Jing; Huang, Xiaobo; Wei, Haipeng; Zhou, Jun; Qiu, Tiancheng; Wu, Jishan; Zeng, Zebing
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 19
• Pages of publication: 5094 - 5097
• a: 12.6363 ± 0.0013 Å
• b: 23.284 ± 0.002 Å
• c: 25.125 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7392.4 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1343
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.225
• Weighted residual factors for all reflections included in the refinement: 0.2622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No