Information card for entry 4130531

Structure parameters

• Formula: C144 H150 N6 O12 Se3
• Calculated formula: C78 N6 O12 Se3
• SMILES: [se]1c2cc3C(=O)NC(=O)c4c3c3c2c2c5c6c3c(c4)c3c(c6cc4c5c(cc12)C(=O)NC4=O)c1c2cc4C(=O)NC(=O)c5cc6[se]c7cc8c9c(cc(c%10c2c(c45)c6c7c9%10)c1c1c2cc4c5c6c7c9c%10c%11c(cc(c%10c26)c31)C(=O)NC(=O)c%11cc9[se]c7cc5C(=O)NC4=O)C(=O)NC8=O
• Title of publication: Three-Bladed Rylene Propellers with Three-Dimensional Network Assembly for Organic Electronics.
• Authors of publication: Meng, Dong; Fu, Huiting; Xiao, Chengyi; Meng, Xiangyi; Winands, Thorsten; Ma, Wei; Wei, Wei; Fan, Bingbing; Huo, Lijun; Doltsinis, Nikos L.; Li, Yan; Sun, Yanming; Wang, Zhaohui
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 32
• Pages of publication: 10184 - 10190
• a: 24.871 ± 0.005 Å
• b: 40.663 ± 0.008 Å
• c: 31.272 ± 0.006 Å
• α: 90°
• β: 102.71 ± 0.03°
• γ: 90°
• Cell volume: 30851 ± 11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.3327
• Residual factor for significantly intense reflections: 0.1772
• Weighted residual factors for significantly intense reflections: 0.4266
• Weighted residual factors for all reflections included in the refinement: 0.4982
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No