Information card for entry 4029581

Structure parameters

• Formula: C14 H22 O4
• Calculated formula: C14 H22 O4
• SMILES: O(C1(OC)[C@@H]2CC[C@@H](O)[C@H]([C@@]2(C=CC1=O)C)C)C.O(C1(OC)[C@H]2CC[C@H](O)[C@@H]([C@]2(C=CC1=O)C)C)C
• Title of publication: Stereocontrolled synthesis of polyfunctionalized cis-decalins from 2-methoxyphenols: total syntheses of (+/-)-eremopetasidione, (+/-)-3 beta-angeloyloxyfuranoeremophilane, and (+/-)-3 beta-methacryloyloxyfuranoeremophilane.
• Authors of publication: Hsu, Day-Shin; Hsu, Po-Yi; Lee, Yen-Chun; Liao, Chun-Chen
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2008
• Journal volume: 73
• Journal issue: 7
• Pages of publication: 2554 - 2563
• a: 8.4285 ± 0.0002 Å
• b: 13.9535 ± 0.0001 Å
• c: 11.5719 ± 0.0003 Å
• α: 90°
• β: 90.956 ± 0.001°
• γ: 90°
• Cell volume: 1360.75 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No