Information card for entry 2228565

Structure parameters

• Chemical name: 3-(4-Fluorophenylsulfonyl)-2-methylnaphtho[1,2-<i>b</i>]furan
• Formula: C19 H13 F O3 S
• Calculated formula: C19 H13 F O3 S
• SMILES: S(=O)(=O)(c1c2ccc3ccccc3c2oc1C)c1ccc(F)cc1
• Title of publication: 3-(4-Fluorophenylsulfonyl)-2-methylnaphtho[1,2-<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: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3302
• a: 8.1456 ± 0.0003 Å
• b: 18.4472 ± 0.0005 Å
• c: 10.3618 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1557 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes