Information card for entry 2012507

Structure parameters

• Formula: C11 H16 Br2 O3
• Calculated formula: C11 H16 Br2 O3
• SMILES: BrC1(Br)[C@@]([C@H](CCC(=O)C)CC(=O)O)(C1)C
• Title of publication: Stereochemistry of two new polyfunctionalized <i>gem</i>-dihalocyclopropanes
• Authors of publication: Ziyat, Hossni; Ait Itto, My Youssef; Ait Ali, Mustapha; Karim, Abdellah; Riahi, Abdelkhalek; Daran, Jean-Claude
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: o90 - o93
• a: 7.4006 ± 0.0005 Å
• b: 9.7511 ± 0.001 Å
• c: 18.0171 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1300.19 ± 0.19 ų
• Cell temperature: 180 ± 2 K
• Number of distinct elements: 4
• 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: 0.0465
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes