Information card for entry 1520390

Structure parameters

• Formula: C20 H26 O4 S2 Se2
• Calculated formula: C20 H26 O4 S2 Se2
• SMILES: c1(c(cccc1)[Se][Se]c1c(cccc1)S(=O)(=O)C(C)(C)C)S(=O)(=O)C(C)(C)C
• Title of publication: C20H26O4S2Se2
• Authors of publication: Wirth, Thomas; Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2009
• Pages of publication: 653
• a: 13.0885 ± 0.0002 Å
• b: 12.5754 ± 0.0003 Å
• c: 14.4854 ± 0.0003 Å
• α: 90°
• β: 110.753 ± 0.001°
• γ: 90°
• Cell volume: 2229.5 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0565
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No