Information card for entry 1552692

Structure parameters

• Formula: C34 H41 N O4
• Calculated formula: C34 H41 N O4
• SMILES: O1[C@H]2[C@H]3[C@H]([C@@H]4C[C@@H](C[C@@H]([C@@H]24)C)C)C(=C2[C@@]([C@@H]3C(=O)[C@@H]3C(=O)NC(=O)[C@H]3Cc3ccc1cc3)(C=C([C@@H]2C)C)C)C
• Title of publication: Ascomylactams A-C, Cytotoxic 12- or 13-Membered-Ring Macrocyclic Alkaloids Isolated from the Mangrove Endophytic Fungus <i>Didymella</i> sp. CYSK-4, and Structure Revisions of Phomapyrrolidones A and C.
• Authors of publication: Chen, Yan; Liu, Zhaoming; Huang, Yun; Liu, Lan; He, Jianguo; Wang, Lan; Yuan, Jie; She, Zhigang
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 7
• Pages of publication: 1752 - 1758
• a: 12.1967 ± 0.0002 Å
• b: 16.4091 ± 0.0003 Å
• c: 47.1373 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9433.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0731
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No