Information card for entry 2229201

Structure parameters

• Chemical name: 7-Bromo-1-(4-fluorophenylsulfonyl)-2-methylnaphtho[2,1-<i>b</i>]furan
• Formula: C19 H12 Br F O3 S
• Calculated formula: C19 H12 Br F O3 S
• SMILES: Brc1ccc2c3c(S(=O)(=O)c4ccc(F)cc4)c(oc3ccc2c1)C
• Title of publication: 7-Bromo-1-(4-fluorophenylsulfonyl)-2-methylnaphtho[2,1-<i>b</i>]furan
• Authors of publication: Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o280
• a: 12.0415 ± 0.0002 Å
• b: 8.1579 ± 0.0001 Å
• c: 17.4578 ± 0.0003 Å
• α: 90°
• β: 105.325 ± 0.001°
• γ: 90°
• Cell volume: 1653.96 ± 0.05 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: 0.0451
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes