Information card for entry 1514364

Structure parameters

• Formula: C36 H57 N5 O9
• Calculated formula: C36 H57 N5 O9
• SMILES: N12[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)NCCC(=O)O[C@H](C2=O)CC(C)C)CC(C)C)C)C(C)C)C)Cc2ccc(O)cc2)CCC1.O
• Title of publication: Cyclohexadepsipeptides of the Isaridin Class from the Marine-Derived Fungus Beauveria felina EN-135.
• Authors of publication: Du, Feng-Yu; Zhang, Peng; Li, Xiao-Ming; Li, Chun-Shun; Cui, Chuan-Ming; Wang, Bin-Gui
• Journal of publication: Journal of natural products
• Year of publication: 2014
• Journal volume: 77
• Journal issue: 5
• Pages of publication: 1164
• a: 10.2134 ± 0.0009 Å
• b: 15.7979 ± 0.0016 Å
• c: 24.297 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3920.3 ± 0.7 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: 0.2507
• Residual factor for significantly intense reflections: 0.1008
• Weighted residual factors for significantly intense reflections: 0.1984
• Weighted residual factors for all reflections included in the refinement: 0.326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No