Information card for entry 4121567

Structure parameters

• Common name: XH-211-3
• Chemical name: maimone24
• Formula: C20 H28 O5
• Calculated formula: C20 H28 O5
• SMILES: [C@H]12C[C@@H]3C([C@H]([C@]1(C(=O)C=C([C@@H]1C[C@@H](C1(C)C)CC(=O)O)O2)O)C3)(C)C
• Title of publication: Four-Step Synthesis of the Antimalarial Cardamom Peroxide via an Oxygen Stitching Strategy.
• Authors of publication: Hu, Xirui; Maimone, Thomas J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 14
• Pages of publication: 5287 - 5290
• a: 6.81 ± 0.0003 Å
• b: 9.9666 ± 0.0004 Å
• c: 27.5837 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1872.18 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0377
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No