Information card for entry 2231125

Structure parameters

• Chemical name: 1,4-Dibromonaphthalene-2,3-diol
• Formula: C10 H6 Br2 O2
• Calculated formula: C10 H6 Br2 O2
• SMILES: Brc1c2c(cccc2)c(Br)c(c1O)O
• Title of publication: 1,4-Dibromonaphthalene-2,3-diol
• Authors of publication: Gao, Qinghe; Zhu, Yanping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2009
• a: 5.0928 ± 0.0009 Å
• b: 11.932 ± 0.002 Å
• c: 15.779 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 958.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes