Information card for entry 7115864

Structure parameters

• Formula: C12 H6 S2 Se4
• Calculated formula: C12 H6 S2 Se4
• SMILES: C12C([Se][Se]C=1c1cccs1)=C(c1cccs1)[Se][Se]2
• Title of publication: Diselenolodiselenole: a selenium containing fused heterocycle for conjugated systems
• Authors of publication: Anjan Bedi; Sashi Debnath; Sanjio S. Zade
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 13454
• a: 24.5589 ± 0.0015 Å
• b: 11.0932 ± 0.0005 Å
• c: 5.567 ± 0.0003 Å
• α: 90°
• β: 92.535 ± 0.004°
• γ: 90°
• Cell volume: 1515.17 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No