Information card for entry 2222855

Structure parameters

• Chemical name: 7-Bromo-1-methylsulfinyl-2-phenylnaphtho[2,1-<i>b</i>]furan
• Formula: C19 H13 Br O2 S
• Calculated formula: C19 H13 Br O2 S
• SMILES: Brc1ccc2c3c(S(=O)C)c(oc3ccc2c1)c1ccccc1
• Title of publication: 7-Bromo-1-methylsulfinyl-2-phenylnaphtho[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: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1956
• a: 6.0007 ± 0.0004 Å
• b: 22.699 ± 0.002 Å
• c: 11.2151 ± 0.0008 Å
• α: 90°
• β: 91.267 ± 0.001°
• γ: 90°
• Cell volume: 1527.2 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.0904
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0913
• 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