Information card for entry 2205041

Structure parameters

• Common name: 1,2,4,5,7-Pentabromo-5-methoxyindane
• Chemical name: (1RS,2SR)-1,2,4,5,7-Pentabromo-5-methoxyindane
• Formula: C10 H7 Br5 O
• Calculated formula: C10 H7 Br5 O
• SMILES: Br[C@H]1Cc2c([C@H]1Br)c(Br)c(OC)c(Br)c2Br.Br[C@@H]1Cc2c([C@@H]1Br)c(Br)c(OC)c(Br)c2Br
• Title of publication: (1<i>RS</i>,2S<i>R</i>)-1,2,4,5,7-Pentabromo-5-methoxyindane
• Authors of publication: Mehmet Akkurt; Ísmail Çelik; Kıymet Berkil; Ahmet Tutar; Cem Cüneyt Ersanlı; Osman Çakmak; Orhan Büyükgüngör
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o475 - o477
• a: 8.8895 ± 0.0011 Å
• b: 8.9281 ± 0.001 Å
• c: 9.6787 ± 0.0013 Å
• α: 98.382 ± 0.01°
• β: 113.16 ± 0.01°
• γ: 101.06 ± 0.009°
• Cell volume: 671.99 ± 0.16 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1111
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 0.813
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes