Information card for entry 7153863

Structure parameters

• Chemical name: Methyl 2,2-dihydroxy-2-(5-oxotetrahydrofuran-2-yl)acetate
• Formula: C7 H10 O6
• Calculated formula: C7 H10 O6
• SMILES: OC(C(=O)OC)(O)[C@H]1OC(=O)CC1
• Title of publication: Total synthesis of gonytolides C and G, lachnone C, and formal synthesis of blennolide C and diversonol.
• Authors of publication: Sudhakar, Gangarajula; Bayya, Shruthi; Kadam, Vilas D.; Nanubolu, Jagadeesh Babu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 30
• Pages of publication: 5601 - 5610
• a: 6.7699 ± 0.0004 Å
• b: 8.2068 ± 0.0005 Å
• c: 15.1001 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 838.95 ± 0.09 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: 0.0297
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No