Information card for entry 2234994

Structure parameters

• Chemical name: 2,4-Dibromo-2,3-dihydro-1<i>H</i>-inden-1-yl acetate
• Formula: C11 H10 Br2 O2
• Calculated formula: C11 H10 Br2 O2
• SMILES: Brc1cccc2c1C[C@H](Br)[C@@H]2OC(=O)C.Brc1cccc2c1C[C@@H](Br)[C@H]2OC(=O)C
• Title of publication: 2,4-Dibromo-2,3-dihydro-1<i>H</i>-inden-1-yl acetate
• Authors of publication: Çelik, Ísmail; Akkurt, Mehmet; Yilmaz, Makbule; Tutar, Ahmet; Erenler, Ramazan; Kazak, Canan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1884
• a: 8.1423 ± 0.0007 Å
• b: 8.6891 ± 0.0009 Å
• c: 9.0028 ± 0.0008 Å
• α: 76.163 ± 0.008°
• β: 68.105 ± 0.007°
• γ: 86.397 ± 0.008°
• Cell volume: 573.6 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0875
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1635
• Weighted residual factors for all reflections included in the refinement: 0.1776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes