Information card for entry 2233565

Structure parameters

• Chemical name: 2-Methyl-1-(4-methylphenylsulfinyl)naphtho[2,1-<i>b</i>]furan
• Formula: C20 H16 O2 S
• Calculated formula: C20 H16 O2 S
• SMILES: S(=O)(c1c2c3ccccc3ccc2oc1C)c1ccc(cc1)C
• Title of publication: 2-Methyl-1-(4-methylphenylsulfinyl)naphtho[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: 2
• Pages of publication: o549
• a: 6.5052 ± 0.0001 Å
• b: 16.7418 ± 0.0003 Å
• c: 14.4935 ± 0.0002 Å
• α: 90°
• β: 97.883 ± 0.001°
• γ: 90°
• Cell volume: 1563.55 ± 0.04 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes