Information card for entry 4021557

Structure parameters

• Common name: Hypodermin B
• Chemical name: 1RS-Hydroxy-6,6-dimethyl-7,8-dihydronaphtho[1,2-c]furan-3,9(1H,6H)-dione
• Formula: C14 H14 O4
• Calculated formula: C14 H14 O4
• SMILES: O1C(O)c2c(C1=O)ccc1C(C)(C)CCC(=O)c21
• Title of publication: Efficient Formal Synthesis of (±)-Hyphodermin B
• Authors of publication: Luke C. Henderson; Wendy A. Loughlin; Ian D. Jenkins; Peter C. Healy; Marc R. Campitelli
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 2384 - 2388
• a: 15.937 ± 0.005 Å
• b: 7.227 ± 0.003 Å
• c: 10.649 ± 0.003 Å
• α: 90°
• β: 91 ± 0.02°
• γ: 90°
• Cell volume: 1226.3 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1238
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1823
• Weighted residual factors for all reflections included in the refinement: 0.2182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No