Information card for entry 2017328

Structure parameters

• Chemical name: 1,3-dibromo-5-iodo-2,4,6-trimethylbenzene
• Formula: C9 H9 Br2 I
• Calculated formula: C9 H9 Br2.001 I0.999
• Title of publication: Rotationally disordered phase of 1,3-dibromo-5-iodo-2,4,6-trimethylbenzene at 293 K
• Authors of publication: Ghanemi, Soumia; Hernandez, Olivier; Boudjada, Ali; Meinnel, Jean
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o498 - o501
• a: 7.895 ± 0.001 Å
• b: 9.318 ± 0.0009 Å
• c: 9.313 ± 0.0011 Å
• α: 60.187 ± 0.008°
• β: 72.998 ± 0.009°
• γ: 95.1 ± 0.01°
• Cell volume: 545.33 ± 0.13 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 ± 1 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: 0.0906
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1769
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes