Information card for entry 2217473

Structure parameters

• Chemical name: 2-Methyl-3-(phenylsulfonyl)naphtho[1,2-b]furan
• Formula: C19 H14 O3 S
• Calculated formula: C19 H14 O3 S
• SMILES: S(=O)(=O)(c1c2ccc3ccccc3c2oc1C)c1ccccc1
• Title of publication: 2-Methyl-3-(phenylsulfonyl)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: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o452 - o452
• a: 8.198 ± 0.004 Å
• b: 18.589 ± 0.008 Å
• c: 10.049 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1531.4 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes