Information card for entry 2212879

Structure parameters

• Chemical name: 2-Methyl-1-(phenylsulfinyl)naphtho[2,1-<i>b</i>]furan
• Formula: C19 H14 O2 S
• Calculated formula: C19 H14 O2 S
• SMILES: S(=O)(c1c2c3ccccc3ccc2oc1C)c1ccccc1
• Title of publication: 2-Methyl-1-(phenylsulfinyl)naphtho[2,1-<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: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1731 - o1732
• a: 6.178 ± 0.0004 Å
• b: 17.267 ± 0.001 Å
• c: 13.8089 ± 0.0008 Å
• α: 90°
• β: 93.076 ± 0.001°
• γ: 90°
• Cell volume: 1470.95 ± 0.15 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: 0.0619
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.292
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes