Information card for entry 2222339

Structure parameters

• Chemical name: 2-Phenyl-3-(phenylsulfinyl)naphtho[1,2-<i>b</i>]furan
• Formula: C24 H16 O2 S
• Calculated formula: C24 H16 O2 S
• SMILES: S(=O)(c1c2ccc3ccccc3c2oc1c1ccccc1)c1ccccc1
• Title of publication: 2-Phenyl-3-(phenylsulfinyl)naphtho[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: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1641
• a: 10.123 ± 0.001 Å
• b: 14.109 ± 0.002 Å
• c: 12.41 ± 0.002 Å
• α: 90°
• β: 99.743 ± 0.002°
• γ: 90°
• Cell volume: 1746.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0889
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes