Information card for entry 2017242

Structure parameters

• Common name: 2,2'-Diselenodibenzyl bromide
• Chemical name: bis[2-(bromomethyl)phenyl] diselenide
• Formula: C14 H12 Br2 Se2
• Calculated formula: C14 H12 Br2 Se2
• SMILES: [Se]([Se]c1ccccc1CBr)c1ccccc1CBr
• Title of publication: Similarities and differences between bis[2-(bromomethyl)phenyl] diselenide, bis[2-(chloromethyl)phenyl] diselenide and bis[2-(hydroxymethyl)phenyl] diselenide
• Authors of publication: Lari, Alberth; Rominger, Frank; Gleiter, Rolf
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o400 - o403
• a: 11.4093 ± 0.0011 Å
• b: 11.3589 ± 0.0011 Å
• c: 24.176 ± 0.002 Å
• α: 90°
• β: 101.861 ± 0.002°
• γ: 90°
• Cell volume: 3066.2 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes