Information card for entry 4130530

Structure parameters

• Formula: C102 H30 F42 N6 O12
• Calculated formula: C102 H30 F42 N6 O12
• SMILES: c12c(c3c(c4c1c1c5c6c4cc4C(=O)N(C(=O)c7c4c6c(c4c5c5c(c1)C(=O)N(C(=O)c5cc4)CC(F)(F)C(C(F)(F)F)(F)F)cc7)CC(F)(F)C(C(F)(F)F)(F)F)c1c4c5c3cc3C(=O)N(C(=O)c6c3c5c(c3c4c4c(c1)C(=O)N(C(=O)c4cc3)CC(F)(F)C(C(F)(F)F)(F)F)cc6)CC(F)(C(C(F)(F)F)(F)F)F)c1c3c4c2cc2C(=O)N(C(=O)c5c2c4c(c2c3c3c(c1)C(=O)N(C(=O)c3cc2)CC(F)(F)C(F)(F)C(F)(F)F)cc5)CC(F)(F)C(C(F)(F)F)(F)F
• 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: 29.2365 ± 0.0015 Å
• b: 33.0466 ± 0.0016 Å
• c: 32.1833 ± 0.0015 Å
• α: 90°
• β: 91.677 ± 0.004°
• γ: 90°
• Cell volume: 31081 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.2928
• Residual factor for significantly intense reflections: 0.1947
• Weighted residual factors for significantly intense reflections: 0.4437
• Weighted residual factors for all reflections included in the refinement: 0.5012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No