Information card for entry 4345408

Structure parameters

• Formula: C40 H28 F6 N2 O6 S2 Se
• Calculated formula: C40 H28 F6 N2 O6 S2 Se
• SMILES: [se]1c(c2ccc([n+]3ccccc3)cc2)c(c(c2ccccc2)c1c1ccc([n+]2ccccc2)cc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Diverse Reactions of Thiophenes, Selenophenes, and Tellurophenes with Strongly Oxidizing I(III) PhI(L)2 Reagents.
• Authors of publication: Egalahewa, Sathsara; Albayer, Mohammad; Aprile, Antonino; Dutton, Jason L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 1282 - 1288
• a: 8.6374 ± 0.0017 Å
• b: 10.167 ± 0.002 Å
• c: 21.485 ± 0.004 Å
• α: 79.65 ± 0.03°
• β: 83.06 ± 0.03°
• γ: 88.29 ± 0.03°
• Cell volume: 1842.4 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No