Information card for entry 1544958

Structure parameters

• Formula: C18 H30 N2 O5
• Calculated formula: C18 H30 N2 O5
• SMILES: O1C(=O)[C@@H](NC(=O)CN(C(=O)C(C(=O)[C@H]([C@@H]1[C@@H](CC)C)C)(C)C)C)C
• Title of publication: Dahurelmusin A, a Hybrid Peptide-Polyketide from Elymus dahuricus Infected by the Epichloë bromicola Endophyte.
• Authors of publication: Song, Qiu-Yan; Yu, Hai-Tao; Zhang, Xing-Xu; Nan, Zhi-Biao; Gao, Kun
• Journal of publication: Organic letters
• Year of publication: 2016
• a: 10.0307 ± 0.0016 Å
• b: 10.0307 ± 0.0016 Å
• c: 19.782 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1990.4 ± 0.5 ų
• Cell temperature: 273.77 ± 0.1 K
• Ambient diffraction temperature: 273.77 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No