Information card for entry 2221477

Structure parameters

• Chemical name: Ethyl 2-(5-bromo-3-ethylsulfinyl-1-benzofuran-2-yl)acetate
• Formula: C14 H15 Br O4 S
• Calculated formula: C14 H15 Br O4 S
• Title of publication: Ethyl 2-(5-bromo-3-ethylsulfinyl-1-benzofuran-2-yl)acetate
• 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: 4
• Pages of publication: o838
• a: 8.311 ± 0.003 Å
• b: 9.8 ± 0.003 Å
• c: 10.621 ± 0.003 Å
• α: 69.552 ± 0.005°
• β: 77.671 ± 0.006°
• γ: 66.259 ± 0.005°
• Cell volume: 739.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1548
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes