Information card for entry 2224547

Structure parameters

• Chemical name: 7-Bromo-1-(4-chlorophenylsulfanyl)-2-phenylnaphtho[2,1-<i>b</i>]furan
• Formula: C24 H14 Br Cl O S
• Calculated formula: C24 H14 Br Cl O S
• SMILES: Brc1cc2c(c3c(Sc4ccc(Cl)cc4)c(oc3cc2)c2ccccc2)cc1
• Title of publication: 7-Bromo-1-(4-chlorophenylsulfanyl)-2-phenylnaphtho[2,1-<i>b</i>]furan
• Authors of publication: Choi, Hong Dae; Seo, Pil Ja; Kim, Byung Ki; Son, Byeng Wha; Lee, Uk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o173
• a: 8.2479 ± 0.0003 Å
• b: 8.3136 ± 0.0004 Å
• c: 13.9805 ± 0.0006 Å
• α: 93.53 ± 0.002°
• β: 99.317 ± 0.002°
• γ: 90.342 ± 0.002°
• Cell volume: 944.07 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes