Information card for entry 1514363

Structure parameters

• Formula: C37 H55 N6 O8
• Calculated formula: C37 H55 N6 O8
• SMILES: Oc1ccc(cc1)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)OC(=O)CCNC([C@@H](NC([C@@H](N(C1=O)C)C(C)C)=O)CC(C)C)=O.CC#N
• 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: 9.6584 ± 0.0004 Å
• b: 19.8105 ± 0.0008 Å
• c: 11.0401 ± 0.0006 Å
• α: 90°
• β: 109.791 ± 0.002°
• γ: 90°
• Cell volume: 1987.62 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No