Information card for entry 2212260

Structure parameters

• Chemical name: 2,6,8-Trimethyl-3,5-bis(methylsulfanyl)benzo[1,2-b:5,4-b']difuran
• Formula: C15 H16 O2 S2
• Calculated formula: C15 H16 O2 S2
• SMILES: S(c1c2cc3c(SC)c(oc3c(c2oc1C)C)C)C
• Title of publication: 2,6,8-Trimethyl-3,5-bis(methylsulfanyl)benzo[1,2-<i>b</i>:5,4-<i>b</i>']difuran
• Authors of publication: Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o662 - o663
• a: 7.895 ± 0.003 Å
• b: 13.008 ± 0.005 Å
• c: 14.498 ± 0.006 Å
• α: 90°
• β: 104.479 ± 0.007°
• γ: 90°
• Cell volume: 1441.6 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0549
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes