Information card for entry 1517924

Structure parameters

• Formula: C21 H24 N2 O7
• Calculated formula: C21 H24 N2 O7
• SMILES: O[C@H]([C@]1(O)[C@]2(O[C@]34c5c(N(C)C3=O)cccc5C[C@@H]3[C@H]4[C@@]2(O)N(C1=O)C3(C)C)O)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: 6.1206 ± 0.0002 Å
• b: 14.3568 ± 0.0004 Å
• c: 10.8114 ± 0.0003 Å
• α: 90°
• β: 97.956 ± 0.001°
• γ: 90°
• Cell volume: 940.88 ± 0.05 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: 0.0376
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No