Information card for entry 2237023

Structure parameters

• Common name: isopropyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate
• Chemical name: Isopropyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate
• Formula: C17 H16 Br2 O3
• Calculated formula: C17 H16 Br2 O3
• Title of publication: Isopropyl 2,2-bis(4-bromophenyl)-2-hydroxyacetate
• Authors of publication: Smith, Graham
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3276
• a: 10.2036 ± 0.0006 Å
• b: 10.2166 ± 0.0006 Å
• c: 17.6687 ± 0.0013 Å
• α: 83.775 ± 0.005°
• β: 73.346 ± 0.006°
• γ: 72.937 ± 0.005°
• Cell volume: 1686.4 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0688
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes