Information card for entry 2201159

Structure parameters

• Formula: C12 H9 Br5
• Calculated formula: C12 H9 Br5
• SMILES: Br[C@H]1[C@@H](Br)[C@@H]2C(Br)(Br)[C@@H](Br)[C@H]1c1ccccc21.Br[C@@H]1[C@H](Br)[C@H]2C(Br)(Br)[C@H](Br)[C@@H]1c1ccccc21
• Title of publication: <i>endo,endo,endo</i>-9,9,10,11,12-Pentabromotricyclo[6.2.2.0^2,7^]dodeca-2(7),3,5-triene
• Authors of publication: Ülkü, Dinçer; Arıcı, Cengiz; Çakmak, Osman; Balcı, Metin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: o382 - o384
• a: 9.8779 ± 0.0012 Å
• b: 13.0945 ± 0.0013 Å
• c: 11.5305 ± 0.0011 Å
• α: 90°
• β: 105.354 ± 0.007°
• γ: 90°
• Cell volume: 1438.2 ± 0.3 ų
• Cell temperature: 301 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No