Information card for entry 2223410

Structure parameters

• Common name: (-)-Istanbulin A
• Chemical name: 9a-hydroxy-3,4a,5-trimethyl-4a,6,7,8a,9,9a-hexahydro-4<i>H</i>,5<i>H</i>- naphtho[2,3-<i>b</i>]furan-2,8-dione
• Formula: C15 H20 O4
• Calculated formula: C15 H20 O4
• SMILES: O1[C@]2(O)C(=C(C1=O)C)C[C@]1([C@@H](CCC(=O)[C@@H]1C2)C)C
• Title of publication: ({-})-Istanbulin A
• Authors of publication: López-Rodríguez, Matías; Reina, Matías; Domínguez-Díaz, D. M.; Fajardo, V.; Villarroel, L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2330
• a: 7.432 ± 0.004 Å
• b: 13.01 ± 0.006 Å
• c: 8.161 ± 0.006 Å
• α: 90°
• β: 115.47 ± 0.04°
• γ: 90°
• Cell volume: 712.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes