Information card for entry 1546142

Structure parameters

• Formula: C20 H30 N4 O5
• Calculated formula: C20 H30 N4 O5
• SMILES: N1C(=O)[C@@H]2C3=C(N[C@](O)([C@@H](NC(=O)C=C[C@@H](O)CC[C@@H]1C)C)C2)C[C@@H](NC3=O)C
• Title of publication: Gunnilactams A-C, Macrocyclic Tetralactams from the Mycelial Culture of the Entomogenous Fungus Paecilomyces gunnii.
• Authors of publication: Zheng, Yongbiao; Zhang, Jiyan; Wei, Liufeng; Shi, Mianmian; Wang, Jifeng; Huang, Jianzhong
• Journal of publication: Journal of natural products
• Year of publication: 2017
• Journal volume: 80
• Journal issue: 6
• Pages of publication: 1935 - 1938
• a: 9.8604 ± 0.0016 Å
• b: 12.364 ± 0.002 Å
• c: 15.752 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1920.4 ± 0.6 ų
• Ambient diffraction temperature: 273.15 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: 0.0772
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.2019
• Weighted residual factors for all reflections included in the refinement: 0.2041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No