Information card for entry 7153600

Structure parameters

• Formula: C18 H24 O4
• Calculated formula: C19 H24 O4
• SMILES: O(c1cccc2c1CC[C@@H]1[C@]2(C)CCC(=O)[C@H]1C(=O)OCC)C
• Title of publication: New facile enantio- and diastereo-selective syntheses of (-)-triptonide and (-)-triptolide.
• Authors of publication: Zhang, Hongrui; Li, Haifeng; Xue, Jijun; Chen, Rui; Li, Ying; Tang, Yu; Li, Chunxin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 732 - 736
• a: 16.9067 ± 0.001 Å
• b: 7.6918 ± 0.0004 Å
• c: 13.0515 ± 0.0013 Å
• α: 90°
• β: 101.576 ± 0.007°
• γ: 90°
• Cell volume: 1662.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No