Information card for entry 2211807

Structure parameters

• Common name: PMOC2
• Chemical name: 2,4,6-Tris(bromomethyl)-1,3,5-trimethylbenzene
• Formula: C12 H15 Br3
• Calculated formula: C12 H15 Br3
• SMILES: BrCc1c(C)c(CBr)c(c(CBr)c1C)C
• Title of publication: 2,4,6-Tris(bromomethyl)-1,3,5-trimethylbenzene
• Authors of publication: Murray, Pieter; Willans, Charlotte; Bredenkamp, Martin W.; Gertenbach, Jan-André
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o224 - o225
• a: 9.3961 ± 0.0016 Å
• b: 9.4512 ± 0.0016 Å
• c: 9.4846 ± 0.0016 Å
• α: 117.452 ± 0.002°
• β: 109.115 ± 0.002°
• γ: 101.278 ± 0.003°
• Cell volume: 643.08 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes