Information card for entry 1518652

Structure parameters

• Formula: C30 H38 N2 O7
• Calculated formula: C30 H38 N2 O7
• SMILES: O=C([C@H]1[C@@H]2CC(=O)[C@@]34[C@H]([C@@H](NC4=O)Cc4c5ccccc5[nH]c4)[C@@H]([C@]4(O[C@H]4[C@@H]3[C@@H](OO)[C@@H]2C[C@@H]1C)C)C)C.O
• Title of publication: Armochaeglobines A and B, Two New Indole-Based Alkaloids from the Arthropod-Derived Fungus Chaetomium globosum.
• Authors of publication: Chen, Chunmei; Zhu, Hucheng; Li, Xiao-Nian; Yang, Jing; Wang, Jianping; Li, Gentao; Li, Yan; Tong, Qingyi; Yao, Guangmin; Luo, Zengwei; Xue, Yongbo; Zhang, Yonghui
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 3
• Pages of publication: 644 - 647
• a: 11.3323 ± 0.0004 Å
• b: 8.5548 ± 0.0003 Å
• c: 14.1288 ± 0.0005 Å
• α: 90°
• β: 92.453 ± 0.001°
• γ: 90°
• Cell volume: 1368.47 ± 0.08 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: 0.056
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No