Information card for entry 2217040

Structure parameters

• Chemical name: Dihydroartemisinin
• Formula: C15 H24 O5
• Calculated formula: C15 H24 O5
• SMILES: O1[C@]2(OO[C@]34[C@H](CC[C@@H]([C@H]3CC2)C)[C@@H]([C@@H](O[C@@H]14)O)C)C
• Title of publication: Redetermination of dihydroartemisinin at 103(2) K
• Authors of publication: Jasinski, Jerry P.; Butcher, Ray J.; Yathirajan, H. S.; Narayana, B.; Sreevidya, T. V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o89 - o90
• a: 5.591 ± 0.0006 Å
• b: 14.1309 ± 0.0014 Å
• c: 18.8062 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1485.8 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.049
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.1002
• 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: Yes