Information card for entry 2204570

Structure parameters

• Chemical name: trans,trans,trans-2,3,5,8-Tetrabromo-1,4-dihydroxy-1,2,3,4- tetrahydronaphthalene
• Formula: C10 H8 Br4 O2
• Calculated formula: C10 H8 Br4 O2
• SMILES: Br[C@@H]1[C@@H](O)c2c([C@H](O)[C@H]1Br)c(Br)ccc2Br.Br[C@H]1[C@H](O)c2c([C@@H](O)[C@@H]1Br)c(Br)ccc2Br
• Title of publication: <i>trans,trans,trans</i>-2,3,5,8-Tetrabromo-1,4-dihydroxy-1,2,3,4-tetrahydronaphthalene
• Authors of publication: Mehmet Akkurt; Ísmail Çelik; Ramazan Erenler; Osman Çakmak; Cem Cüneyt Ersanlı; Orhan Büyükgüngör
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o2096 - o2098
• a: 16.8495 ± 0.0009 Å
• b: 12.1086 ± 0.0009 Å
• c: 12.357 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2521.1 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No