Information card for entry 1504928

Structure parameters

• Formula: C40 H37 N5 O11
• Calculated formula: C40 H37 N5 O11
• SMILES: C1(=O)Nc2c(c(C(=O)Nc3c(c(C(=O)Nc4c(c(C(=O)Nc5c(c(C(=O)Nc6c(c1ccc6)OC)ccc5)OC)ccc4)OC)ccc3)OC)ccc2)OC.O
• Title of publication: Crystallographic evidence of an unusual, pentagon-shaped folding pattern in a circular aromatic pentamer.
• Authors of publication: Qin, Bo; Chen, Xiuying; Fang, Xiao; Shu, Yingying; Yip, Yeow Kwan; Yan, Yan; Pan, Siyan; Ong, Wei Qiang; Ren, Changliang; Su, Haibin; Zeng, Huaqiang
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 22
• Pages of publication: 5127 - 5130
• a: 7.6615 ± 0.0004 Å
• b: 11.4272 ± 0.0007 Å
• c: 21.1873 ± 0.0012 Å
• α: 88.793 ± 0.001°
• β: 80.147 ± 0.001°
• γ: 76.291 ± 0.001°
• Cell volume: 1775.14 ± 0.17 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 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: 0.1335
• Residual factor for significantly intense reflections: 0.0908
• Weighted residual factors for significantly intense reflections: 0.1737
• Weighted residual factors for all reflections included in the refinement: 0.1924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No