Information card for entry 2008158

Structure parameters

• Chemical name: 2-(3-furyl)-1,4,6,6a,7,10,10a,10b-octahydro-6a,10b-dimethyl-2H-naptho [2,1-c]pyran-7,4-dione
• Formula: C19 H20 O4
• Calculated formula: C19 H20 O4
• SMILES: O=C1C=CC[C@@H]2[C@]1(CC=C1[C@]2(C[C@@H](OC1=O)c1cocc1)C)C
• Title of publication: Δ^8,9^-Decarboxyfibleucin from <i>Fibraurea chloroleuca</i> Miers
• Authors of publication: Nor Aziyah Bakhari; Sam Teng Wah; Kandasamy Chinnakali; Hoong-Kun Fun; Ibrahim Abdul Razak
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 228 - 230
• a: 6.1925 ± 0.0001 Å
• b: 10.2272 ± 0.0003 Å
• c: 24.8189 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1571.83 ± 0.06 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: 0.086
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No