Information card for entry 2211297

Structure parameters

• Formula: C19 H14 O2 S
• Calculated formula: C19 H14 O2 S
• SMILES: S(=O)(c1c2c3ccccc3ccc2oc1c1ccccc1)C
• Title of publication: 1-Methylsulfinyl-2-phenylnaphtho[2,1-<i>b</i>]furan
• Authors of publication: Choi, Hong Dae; Seo, Pil Ja; Kang, Byoung Won; Son, Byeng Wha; Lee, Uk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5625 - o5626
• a: 10.868 ± 0.001 Å
• b: 9.41 ± 0.001 Å
• c: 14.19 ± 0.002 Å
• α: 90°
• β: 94.568 ± 0.002°
• γ: 90°
• Cell volume: 1446.6 ± 0.3 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: 0.0532
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes