Information card for entry 2215029

Structure parameters

• Chemical name: 1-Bromo-8-(phenylselenyl)naphthalene
• Formula: C16 H11 Br Se
• Calculated formula: C16 H11 Br Se
• SMILES: Brc1cccc2cccc([Se]c3ccccc3)c12
• Title of publication: 1-Bromo-8-(phenylselenyl)naphthalene
• Authors of publication: Fuller, Amy L.; Knight, Fergus R.; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3855 - o3855
• a: 12.2378 ± 0.0006 Å
• b: 7.8921 ± 0.0004 Å
• c: 14.7367 ± 0.0008 Å
• α: 90°
• β: 110.98 ± 0.001°
• γ: 90°
• Cell volume: 1328.94 ± 0.12 ų
• Cell temperature: 125.1 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 significantly intense reflections: 0.0328
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes