Information card for entry 1502322

Structure parameters

• Formula: C15 H22 O4
• Calculated formula: C15 H22 O4
• SMILES: O=C1O[C@@]2([C@H]([C@H]1C)CC[C@H]([C@@H]2CCC(=O)C)C)C=O
• Title of publication: A hydrogen peroxide based access to qinghaosu (artemisinin).
• Authors of publication: Hao, Hong-Dong; Li, Yun; Han, Wei-Bo; Wu, Yikang
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 16
• Pages of publication: 4212 - 4215
• a: 9.0867 ± 0.0018 Å
• b: 12.11 ± 0.002 Å
• c: 13.383 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1472.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0489
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No