Information card for entry 2222302

Structure parameters

• Common name: 4-Bromoselenoanisole
• Chemical name: 1-bromo-4-methylselenobenzene
• Formula: C7 H7 Br Se
• Calculated formula: C7 H7 Br Se
• SMILES: [Se](c1ccc(Br)cc1)C
• Title of publication: 4-Bromoselenoanisole
• Authors of publication: Sørensen, Henning Osholm; Stuhr-Hansen, Nicolai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1665 - o1666
• a: 5.8298 ± 0.0008 Å
• b: 7.0671 ± 0.0011 Å
• c: 18.776 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 773.6 ± 0.3 ų
• Cell temperature: 122 ± 1 K
• Ambient diffraction temperature: 122 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes