Information card for entry 2218303

Structure parameters

• Chemical name: 7-Bromo-2-methyl-1-tosylnaphtho[2,1-b]furan
• Formula: C20 H15 Br O3 S
• Calculated formula: C20 H15 Br O3 S
• SMILES: Brc1ccc2c3c(S(=O)(=O)c4ccc(cc4)C)c(oc3ccc2c1)C
• Title of publication: 7-Bromo-2-methyl-1-tosylnaphtho[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: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1158
• a: 14.026 ± 0.002 Å
• b: 8.225 ± 0.001 Å
• c: 15.185 ± 0.002 Å
• α: 90°
• β: 102.826 ± 0.002°
• γ: 90°
• Cell volume: 1708.1 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0358
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes