Information card for entry 7153601

Structure parameters

• Formula: C17 H14 O4
• Calculated formula: C17 H14 O4
• SMILES: c1(cccc2c1C(=O)C=C1[C@@]2(CCC2=C1COC2=O)C)O
• 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: 8.85 ± 0.003 Å
• b: 12.001 ± 0.004 Å
• c: 12.727 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1351.7 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0703
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No