Information card for entry 4128361

Structure parameters

• Formula: C194 H148 N10 O20
• Calculated formula: C194 H148 N10 O20
• SMILES: N1(C(CCCC)CC)C(=O)c2cc3c4c5c6c7c8c9c6c(c6c(c9c9c(c8c8c(c7c4c4c7c3c3c2c(ccc3c2c7c3c(c4)C(=O)N(C(CCCC)CC)C(=O)c3cc2)C1=O)c1c2c3c4c(c1)C(N(CC)C(=O)c4ccc3c1c3c2c8cc2c3c(cc1)C(=O)N(C(C)CCC)C2=O)=O)c1c2c3c4c(c1)C(=O)N(C(CCCCC)CC)C(=O)c4ccc3c1c3c2c9cc2c3c(cc1)C(=O)N(C(CCCC)CC)C2=O)c1c2c3c4c(c1)C(=O)N(C(CCCC)CCC)C(=O)c4ccc3c1c3c2c6cc2c3c(cc1)C(=O)N(C(CC)CC)C2=O)c1c5c2c3c4c1cc1c5c4c(ccc5C(=O)N(C(C)C)C1=O)c1c3c3c(c2)C(=O)N(CC)C(=O)c3cc1
• Title of publication: Corannurylene Pentapetalae.
• Authors of publication: Meng, Dong; Liu, Guogang; Xiao, Chengyi; Shi, Yanjun; Zhang, Lei; Jiang, Lang; Baldridge, Kim K.; Li, Yan; Siegel, Jay S.; Wang, Zhaohui
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 13
• Pages of publication: 5402 - 5408
• a: 31.791 ± 0.005 Å
• b: 31.791 ± 0.005 Å
• c: 45.798 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 40085 ± 12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 158
• Hermann-Mauguin space group symbol: P 3 c 1
• Hall space group symbol: P 3 -2"c
• Residual factor for all reflections: 0.3206
• Residual factor for significantly intense reflections: 0.2756
• Weighted residual factors for significantly intense reflections: 0.5701
• Weighted residual factors for all reflections included in the refinement: 0.6104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.519
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No