Information card for entry 4024286

Structure parameters

• Formula: C17 H24 O4
• Calculated formula: C17 H24 O4
• SMILES: O1[C@]2(C[C@@]34[C@@H]([C@@H]1C[C@@H]2C3)[C@@H]([C@H](OC)C=C4)C(=O)OCC)C
• Title of publication: Total Synthesis of (-)-Platensimycin, a Novel Antibacterial Agent
• Authors of publication: Arun K. Ghosh; Kai Xi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 1163 - 1170
• a: 5.7913 ± 0.0002 Å
• b: 15.093 ± 0.0008 Å
• c: 17.9076 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1565.27 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.0528
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No