Information card for entry 2218031

Structure parameters

• Chemical name: 3-(4-Chlorophenylsulfonyl)-2-methylnaphtho[1,2-<i>b</i>]furan
• Formula: C19 H13 Cl O3 S
• Calculated formula: C19 H13 Cl O3 S
• SMILES: Clc1ccc(S(=O)(=O)c2c3ccc4ccccc4c3oc2C)cc1
• Title of publication: 3-(4-Chlorophenylsulfonyl)-2-methylnaphtho[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: 5
• Pages of publication: o837
• a: 8.1155 ± 0.0003 Å
• b: 18.6014 ± 0.0007 Å
• c: 10.8319 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1635.18 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0254
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes