Information card for entry 2222838

Structure parameters

• Chemical name: 3-Hydroxy-3a,6,8c-trimethylperhydrooxireno[2',3':7,8]naphtho[1,2- <i>b</i>]furan-7(2<i>H</i>)-one
• Formula: C15 H22 O4
• Calculated formula: C15 H22 O4
• SMILES: O=C1O[C@@H]2[C@H]3[C@@]4(O[C@@H]4C[C@H](O)[C@@]3(CC[C@H]2[C@@H]1C)C)C
• Title of publication: 3-Hydroxy-3a,6,8c-trimethylperhydrooxireno[2',3':7,8]naphtho[1,2-<i>b</i>]furan-7(2<i>H</i>)-one
• Authors of publication: Kesternich, Victor; Cortés, Paulina; Brito, Iván; Cárdenas, Alejandro; López-Rodríguez, Matías
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1777 - o1778
• a: 8.251 ± 0.003 Å
• b: 7.239 ± 0.002 Å
• c: 11.434 ± 0.002 Å
• α: 90°
• β: 94.201 ± 0.005°
• γ: 90°
• Cell volume: 681.1 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0402
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes