Information card for entry 2208848

Structure parameters

• Chemical name: 2,9-Dimethyl-3,8-dimethylsulfanylnaphtho[2,1-b:3,4-b']difuran
• Formula: C18 H16 O2 S2
• Calculated formula: C18 H16 O2 S2
• SMILES: S(c1c2c(oc1C)c1oc(c(SC)c1c1ccccc21)C)C
• Title of publication: 2,9-Dimethyl-3,8-bis(methylsulfanyl)naphtho[2,1-<i>b</i>:3,4-<i>b</i>']difuran
• Authors of publication: Choi, Hong Dae; Jang, Ji Bong; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1785 - o1786
• a: 7.564 ± 0.002 Å
• b: 20.415 ± 0.005 Å
• c: 11.022 ± 0.001 Å
• α: 90°
• β: 109.6 ± 0.01°
• γ: 90°
• Cell volume: 1603.4 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.1428
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.2014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes