Information card for entry 1559135

Structure parameters

• Formula: C15 H30 O4
• Calculated formula: C15 H30 O4
• SMILES: O[C@H]([C@@H](O)[C@@H](CCCCCCCCCC)C)C(=O)O
• Title of publication: Cyclodepsipeptide Alveolaride C: Total Synthesis and Structural Assignment
• Authors of publication: Saha, Sanu; Paul, Debobrata; Goswami, Rajib Kumar
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 8.38 ± 0.012 Å
• b: 5.067 ± 0.007 Å
• c: 19.58 ± 0.03 Å
• α: 90°
• β: 94.25 ± 0.04°
• γ: 90°
• Cell volume: 829 ± 2 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301.57 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.3111
• Residual factor for significantly intense reflections: 0.1285
• Weighted residual factors for significantly intense reflections: 0.2632
• Weighted residual factors for all reflections included in the refinement: 0.3464
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No