Information card for entry 2234776

Structure parameters

• Common name: 4,10-dithiatricyclo[7.3.0.0^3,7^]dodeca-1(9),3(7),5,11-tetraene-2,8-dione
• Chemical name: Benzo[1,2-<i>b</i>:4,5-<i>b</i>']dithiophene-4,8-dione
• Formula: C10 H4 O2 S2
• Calculated formula: C10 H4 O2 S2
• SMILES: O=C1c2sccc2C(=O)c2c1ccs2
• Title of publication: Benzo[1,2-<i>b</i>:4,5-<i>b</i>']dithiophene-4,8-dione
• Authors of publication: Ramirez, Amanda L.; Chan, Benny C.; de Lill, Daniel T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1428
• a: 5.6402 ± 0.0005 Å
• b: 5.7745 ± 0.0005 Å
• c: 13.6223 ± 0.0012 Å
• α: 90°
• β: 97.371 ± 0.001°
• γ: 90°
• Cell volume: 440 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0802
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.2274
• Weighted residual factors for all reflections included in the refinement: 0.2375
• 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