Information card for entry 2235786

Structure parameters

• Chemical name: 1-(4-Bromophenylsulfonyl)-2-methylnaphtho[2,1-<i>b</i>]furan
• Formula: C19 H13 Br O3 S
• Calculated formula: C19 H13 Br O3 S
• SMILES: Brc1ccc(S(=O)(=O)c2c3c4ccccc4ccc3oc2C)cc1
• Title of publication: 1-(4-Bromophenylsulfonyl)-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: 8
• Pages of publication: o2324
• a: 6.9579 ± 0.0002 Å
• b: 10.9709 ± 0.0004 Å
• c: 11.4207 ± 0.0004 Å
• α: 110.51 ± 0.002°
• β: 105.886 ± 0.002°
• γ: 91.656 ± 0.002°
• Cell volume: 777.77 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes