Information card for entry 4023395

Structure parameters

• Chemical name: 1,3,6,9-tetrahydro-6,6-dimethyl-3,9-dioxonaptho[2,1-c]furan-1-yl acetate
• Formula: C16 H14 O5
• Calculated formula: C16 H14 O5
• SMILES: O1C(OC(=O)C)c2c(C1=O)ccc1C(C=CC(=O)c21)(C)C
• Title of publication: Total Synthesis of (±)-Hyphodermins A and D
• Authors of publication: Wendy A. Loughlin; Ian D. Jenkins; Luke C. Henderson; Marc R. Campitelli; Peter C. Healy
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 3435 - 3440
• a: 16.557 ± 0.002 Å
• b: 11.614 ± 0.003 Å
• c: 14.704 ± 0.002 Å
• α: 90°
• β: 97.413 ± 0.012°
• γ: 90°
• Cell volume: 2803.8 ± 0.9 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1529
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1681
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No