Information card for entry 4032602

Structure parameters

• Common name: Diol
• Chemical name: Bislactone
• Formula: C14 H20 O4
• Calculated formula: C14 H20 O4
• SMILES: [C@]12(C[C@H]([C@@H]([C@@H]1[C@@](O)(C#C)C(=O)O2)CO)CC)CC
• Title of publication: Total synthesis of the marine polyketide (-)-gracilioether F.
• Authors of publication: Datta, Ritabrata; Ghosh, Subrata
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• a: 8.0176 ± 0.0009 Å
• b: 10.8219 ± 0.0013 Å
• c: 15.3565 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1332.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0388
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No