Information card for entry 2011789

Structure parameters

• Chemical name: 3-Methyl-4-(dibromomethyl)methoxybenzene
• Formula: C9 H10 Br2 O
• Calculated formula: C9 H10 Br2 O
• SMILES: BrC(Br)c1c(cc(OC)cc1)C
• Title of publication: 1-(Dibromomethyl)-4-methoxy-2-methylbenzene
• Authors of publication: Liu, Xiaoming; Kilner, Colin A.; Thornton-Pett, Mark; Halcrow, Malcolm A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: 317 - 318
• a: 7.4692 ± 0.0005 Å
• b: 8.7343 ± 0.0007 Å
• c: 8.909 ± 0.0007 Å
• α: 68.104 ± 0.004°
• β: 77.038 ± 0.004°
• γ: 67.31 ± 0.004°
• Cell volume: 495.34 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0676
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No