Information card for entry 3500103

Structure parameters

• Common name: 1-bromo-3,5-dimethoxybenzene
• Chemical name: 1-bromo-3,5-dimethoxybenzene
• Formula: C8 H9 Br O2
• Calculated formula: C8 H9 Br O2
• Authors of publication: Thierry Maris
• Journal of publication: Personal communication to COD
• Year of publication: 2020
• a: 11.9181 ± 0.0003 Å
• b: 13.3547 ± 0.0004 Å
• c: 5.1261 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 815.88 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0192
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes