Information card for entry 2239189

Structure parameters

• Chemical name: 2-Methyl-1-(3-methylphenylsulfonyl)naphtho[2,1-<i>b</i>]furan
• Formula: C20 H16 O3 S
• Calculated formula: C20 H16 O3 S
• SMILES: Cc1cccc(c1)S(=O)(=O)c1c(C)oc2c1c1ccccc1cc2
• Title of publication: 2-Methyl-1-(3-methylphenylsulfonyl)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: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: o416
• a: 11.1667 ± 0.0002 Å
• b: 7.74 ± 0.0001 Å
• c: 18.4736 ± 0.0003 Å
• α: 90°
• β: 98.683 ± 0.001°
• γ: 90°
• Cell volume: 1578.38 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes