Information card for entry 1517925

Structure parameters

• Formula: C19 H20 N2 O6
• Calculated formula: C19 H20 N2 O6
• SMILES: O1[C@]23c4c(cccc4N(C2=O)C)C[C@H]2C(N4C(=O)[C@H](O)[C@]1(O)[C@@]4(O)[C@@H]32)(C)C
• Title of publication: Aspergillines A-E, Highly Oxygenated Hexacyclic Indole-Tetrahydrofuran-Tetramic Acid Derivatives from Aspergillus versicolor.
• Authors of publication: Zhou, Min; Miao, Ming-Ming; Du, Gang; Li, Xiao-Nian; Shang, Shan-Zhai; Zhao, Wei; Liu, Zhi-Hua; Yang, Guang-Yu; Che, Chun-Tao; Hu, Qiu-Fen; Gao, Xue-Mei
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 19
• Pages of publication: 5016 - 5019
• a: 8.8619 ± 0.0005 Å
• b: 7.5272 ± 0.0005 Å
• c: 12.6082 ± 0.0008 Å
• α: 90°
• β: 90.851 ± 0.003°
• γ: 90°
• Cell volume: 840.94 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.2086
• Weighted residual factors for all reflections included in the refinement: 0.2099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No