Information card for entry 2231681

Structure parameters

• Chemical name: 2-(4-Fluorophenyl)-1-(phenylsulfinyl)naphtho[2,1-<i>b</i>]furan
• Formula: C24 H15 F O2 S
• Calculated formula: C24 H15 F O2 S
• SMILES: S(=O)(c1c2c3ccccc3ccc2oc1c1ccc(F)cc1)c1ccccc1
• Title of publication: 2-(4-Fluorophenyl)-1-(phenylsulfinyl)naphtho[2,1-<i>b</i>]furan
• Authors of publication: Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2479
• a: 7.2853 ± 0.0002 Å
• b: 10.1619 ± 0.0003 Å
• c: 12.3137 ± 0.0004 Å
• α: 103.439 ± 0.002°
• β: 90.486 ± 0.002°
• γ: 96.422 ± 0.002°
• Cell volume: 880.53 ± 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: 0.049
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes