Information card for entry 2236585

Structure parameters

• Chemical name: 7-Bromo-1-(3-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)c4cccc(F)c4)c(oc3ccc2c1)C
• Title of publication: 7-Bromo-1-(3-fluorophenylsulfonyl)-2-methylnaphtho[2,1-<i>b</i>]furan
• Authors of publication: Choi, Hong Dae; Seo, Pil Ja; Lee, Uk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o3047
• a: 7.7141 ± 0.0002 Å
• b: 8.1619 ± 0.0002 Å
• c: 13.4046 ± 0.0004 Å
• α: 74.277 ± 0.002°
• β: 86.41 ± 0.002°
• γ: 89.044 ± 0.002°
• Cell volume: 810.8 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes