Information card for entry 2010616

Structure parameters

• Formula: C10 H6 N2 O4 S2
• Calculated formula: C10 H6 N2 O4 S2
• SMILES: O=C1C2SC3=C(SC=2C(=O)N1C)C(=O)N(C3=O)C
• Title of publication: <i>N</i>,<i>N</i>'-Dimethyl-1,4-dithiine-1,2:4,5-tetracarboximide and <i>N</i>,<i>N</i>'-dimethyl-1,4-diselenine-1,2:4,5-tetracarboximide
• Authors of publication: Brisse, François; Atfani, Mohamed; Bergeron, Jean-Yves; Bélanger-Gariépy, Francine; Armand, Michel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 2
• Pages of publication: 190 - 192
• a: 8.905 ± 0.003 Å
• b: 5.301 ± 0.001 Å
• c: 12.035 ± 0.003 Å
• α: 90°
• β: 95.4 ± 0.03°
• γ: 90°
• Cell volume: 565.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.033
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections: 1.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No