Information card for entry 1517805

Structure parameters

• Formula: C25 H24 N4 O4
• Calculated formula: C25 H24 N4 O4
• SMILES: O=C1N2CCC[C@H]2C(=O)Nc2c(cccc2)C(=O)n2cc(c3ccccc23)C[C@@H]1NC(=O)C
• Title of publication: Psychrophilins E-H and Versicotide C, Cyclic Peptides from the Marine-Derived Fungus Aspergillus versicolor ZLN-60.
• Authors of publication: Peng, Jixing; Gao, Huquan; Zhang, Xiaomin; Wang, Shuai; Wu, Chongming; Gu, Qianqun; Guo, Peng; Zhu, Tianjiao; Li, Dehai
• Journal of publication: Journal of natural products
• Year of publication: 2014
• Journal volume: 77
• Journal issue: 10
• Pages of publication: 2218 - 2223
• a: 12.3961 ± 0.0001 Å
• b: 12.9688 ± 0.0001 Å
• c: 13.7957 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2217.83 ± 0.03 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No