Information card for entry 4116393

Structure parameters

• Formula: C28 H40 N2 O9
• Calculated formula: C28 H40 N2 O9
• SMILES: O=CNc1cccc(c1O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H]([C@@H](OC(=O)[C@@H](C)CC)[C@@H](OC1=O)C)CCCCCC)C
• Title of publication: Structure of Antimycin A1, a Specific Electron Transfer Inhibitor of Ubiquinol-Cytochrome c Oxidoreductase
• Authors of publication: Hoeon Kim; Lothar Esser; M. Bilayet Hossain; Di Xia; Chang-An Yu; Josep Rizo; Dick van der Helm; Johann Deisenhofer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 4902 - 4903
• a: 15.385 ± 0.003 Å
• b: 8.027 ± 0.002 Å
• c: 12.471 ± 0.003 Å
• α: 90°
• β: 96.34 ± 0.02°
• γ: 90°
• Cell volume: 1530.7 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1211
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections: 0.2325
• Weighted residual factors for significantly intense reflections: 0.1983
• Goodness-of-fit parameter for all reflections: 1.066
• Goodness-of-fit parameter for significantly intense reflections: 1.181
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No