Information card for entry 2007828

Structure parameters

• Chemical name: 9-(3-furyl)-1,4,4a,5,9,10,10a,10b-octahydro-4-hydroxy-4a,10a-dimethyl-1,4- etheno-3H,7H-benzo[1,2-c:3,4-c']dipyran-3,7-dione
• Formula: C20 H20 O6
• Calculated formula: C20 H20 O6
• SMILES: O1[C@@H]2C=C[C@@](O)([C@@]3(CC=C4[C@]([C@H]23)(C[C@@H](OC4=O)c2ccoc2)C)C)C1=O
• Title of publication: Fibleucin 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: 1998
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 1649 - 1651
• a: 7.2694 ± 0.0011 Å
• b: 9.649 ± 0.002 Å
• c: 25.045 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1756.7 ± 0.5 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: 0.088
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections: 0.142
• Weighted residual factors for significantly intense reflections: 0.129
• Goodness-of-fit parameter for all reflections: 0.912
• Goodness-of-fit parameter for significantly intense reflections: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes