Information card for entry 2210843

Structure parameters

• Chemical name: trans,trans,trans-1,4-Dimethoxy-2,3,5,8-tetrabromo-1,2,3,4-tetrahydronaphthalene
• Formula: C12 H12 Br4 O2
• Calculated formula: C12 H12 Br4 O2
• SMILES: CO[C@H]1[C@H](Br)[C@@H](Br)[C@@H](c2c1c(Br)ccc2Br)OC.CO[C@@H]1[C@@H](Br)[C@H](Br)[C@H](c2c1c(Br)ccc2Br)OC
• Title of publication: <i>trans</i>,<i>trans</i>,<i>trans</i>-1,4-Dimethoxy-2,3,5,8-tetrabromotetralin
• Authors of publication: Ísmail Çelik; Mehmet Akkurt; Ramazan Erenler; Osman Çakmak; Cem Cüneyt Ersanlı
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4609 - o4610
• a: 17.546 ± 0.005 Å
• b: 12.522 ± 0.005 Å
• c: 7.405 ± 0.005 Å
• α: 90°
• β: 113.207 ± 0.005°
• γ: 90°
• Cell volume: 1495.3 ± 1.2 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: 0.15
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes