Information card for entry 2232012

Structure parameters

• Chemical name: 3,6-Dibromonaphthalene-2,7-diyl bis(trifluoromethanesulfonate)
• Formula: C12 H4 Br2 F6 O6 S2
• Calculated formula: C12 H4 Br2 F6 O6 S2
• SMILES: Brc1c(OS(=O)(=O)C(F)(F)F)cc2cc(OS(=O)(=O)C(F)(F)F)c(Br)cc2c1
• Title of publication: 3,6-Dibromonaphthalene-2,7-diyl bis(trifluoromethanesulfonate)
• Authors of publication: Wu, Xiang-Xiang; Wan, Yan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2698
• a: 5.2413 ± 0.0011 Å
• b: 26.45 ± 0.006 Å
• c: 12.429 ± 0.003 Å
• α: 90°
• β: 90.169 ± 0.003°
• γ: 90°
• Cell volume: 1723.1 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes