Information card for entry 2203258

Structure parameters

• Chemical name: 2,3,-exo,exo-5,6-tetrabromo-bicyclo[2.2.1]hept-2-ene
• Formula: C7 H6 Br4
• Calculated formula: C7 H6 Br4
• SMILES: Br[C@@H]1[C@@H]2C[C@H]([C@@H]1Br)C(=C2Br)Br
• Title of publication: 2,3,-<i>exo,exo</i>-5,6-Tetrabromobicyclo[2.2.1]hept-2-ene
• Authors of publication: Ísmail Çelik; Osman Çakmak; Mehmet Akkurt; Cem Cüneyt Ersanlı; Orhan Büyükgüngör
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: o468 - o470
• a: 6.681 ± 0.005 Å
• b: 12.04 ± 0.005 Å
• c: 12.326 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 991.5 ± 0.9 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• 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: 0.0933
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No