Information card for entry 4128362

Structure parameters

• Formula: C191 H142 N10 O20
• Calculated formula: C191 H142 N10 O20
• SMILES: N1(C(=O)c2cc3c4c5c6c7c8c(c9c(c%10c8c6c(c6c8cc%11C(=O)N(C(=O)c%12c%11c%11c8c8c%13c%14c(cc8c56)C(=O)N(C(=O)c%14ccc%13c%11cc%12)C(CC)CC)CC)c5c%10c6c8c%10c(ccc%11c%10c(C(=O)N(C%11=O)C(CC)C)c6)c6ccc%10c%11c6c8c5cc%11C(=O)N(C%10=O)C(CCCCC)CC)c5c6c8c9cc9c%10c8c(c8c6c6c(c5)C(=O)N(C(=O)c6cc8)C(CCC)C)ccc%10C(=O)N(C9=O)C(CCCC)CC)c5c(c6cc8c9c(ccc%10c%11ccc%12C(=O)N(C(=O)c%13cc5c(c6c9%10)c%11c%12%13)C(CCCCC)CCCCC)C(=O)N(C8=O)C(CC)CC)c7c4c4c5c3c3c2c(ccc3c2ccc3c(c(c4)C(=O)N(C3=O)C(CCCCC)CCC)c52)C1=O)C(CCC)CCC
• 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: 21.504 ± 0.004 Å
• b: 22.883 ± 0.005 Å
• c: 44.815 ± 0.009 Å
• α: 96.64 ± 0.004°
• β: 100.37 ± 0.006°
• γ: 109.8 ± 0.009°
• Cell volume: 20035 ± 7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3473
• Residual factor for significantly intense reflections: 0.2807
• Weighted residual factors for significantly intense reflections: 0.571
• Weighted residual factors for all reflections included in the refinement: 0.6103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.973
• Diffraction radiation wavelength: 0.88557 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No