Information card for entry 2240461

Structure parameters

• Chemical name: 1-Bromo-2-(phenylselenyl)benzene
• Formula: C12 H9 Br Se
• Calculated formula: C12 H9 Br Se
• SMILES: Brc1c([Se]c2ccccc2)cccc1
• Title of publication: Crystal structure of 1-bromo-2-(phenylselenyl)benzene
• Authors of publication: Charette, Bronte J.; Ritch, Jamie S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 3
• Pages of publication: 327 - 329
• a: 8.1171 ± 0.0004 Å
• b: 7.6028 ± 0.0004 Å
• c: 18.1345 ± 0.001 Å
• α: 90°
• β: 99.2668 ± 0.0006°
• γ: 90°
• Cell volume: 1104.52 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.019
• Residual factor for significantly intense reflections: 0.0166
• Weighted residual factors for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.0417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes