Information card for entry 2009142

Structure parameters

• Chemical name: 3-hydroxy-3-hydroxymethyl-9-methyl-6-methyleneperhydroazuleno[4,5-b]furan- 2,8-dione
• Formula: C15 H20 O5
• Calculated formula: C15 H20 O5
• SMILES: O=C1C[C@@H]2[C@H]([C@@H]1C)[C@H]1OC(=O)[C@@](O)([C@@H]1CCC2=C)CO
• Title of publication: 4β,15-Dihydro-3-dehydrosolstitialin A
• Authors of publication: González-Platas, Javier; Ruiz-Pérez, Catalina; González, Antonio G.; Bermejo, Jaime; Medjroubi, Kamel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 1837 - 1839
• a: 8.762 ± 0.001 Å
• b: 9.596 ± 0.002 Å
• c: 16.363 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1375.8 ± 0.4 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: 0.045
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No