Information card for entry 1552671

Structure parameters

• Formula: C30 H48 N2 O6
• Calculated formula: C30 H48 N2 O6
• SMILES: C1(=O)[C@@H]([C@@H](C[C@@H]([C@H](CCCC[C@@H](C)O)C)OC(=O)[C@H](CC(C)C)N(C(=O)[C@@H](Cc2ccccc2)N1)C)O)C
• Title of publication: Colletopeptides A-D, Anti-inflammatory Cyclic Tridepsipeptides from the Plant Endophytic Fungus Colletotrichum sp. S8.
• Authors of publication: Feng, Li; Wang, Jia; Liu, Shuai; Zhang, Xue-Jia; Bi, Qi-Rui; Hu, Yan-Yun; Wang, Zhe; Tan, Ning-Hua
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 6
• Pages of publication: 1434 - 1441
• a: 20.552 ± 0.004 Å
• b: 24.959 ± 0.004 Å
• c: 6.0646 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3110.9 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No