Information card for entry 2226977

Structure parameters

• Chemical name: 1-Bromo-2-(10β-dihydroartemisinoxy)ethane
• Formula: C17 H27 Br O5
• Calculated formula: C17 H27 Br O5
• SMILES: [C@@H]12CC[C@]3(C)O[C@@H]4[C@@]1([C@@H](CC[C@H]2C)[C@H]([C@H](O4)OCCBr)C)OO3
• Title of publication: 1-Bromo-2-(10β-dihydroartemisinoxy)ethane
• Authors of publication: Lombard, Marli C.; Fernandes, Manuel A.; Breytenbach, Jaco C.; N'Da, David D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2182 - o2183
• a: 9.2836 ± 0.0002 Å
• b: 9.1103 ± 0.0002 Å
• c: 10.2999 ± 0.0002 Å
• α: 90°
• β: 90.395 ± 0.001°
• γ: 90°
• Cell volume: 871.11 ± 0.03 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes