Information card for entry 7134883

Structure parameters

• Formula: C22 H16 F6 N2 O6 S2 Se
• Calculated formula: C22 H16 F6 N2 O6 S2 Se
• Title of publication: Imidazopyridine substituted cyclic selenonium(IV) salts as chalcogen bond catalysts.
• Authors of publication: Kuczmera, Thomas J.; Puylaert, Pim; Wirth, Thomas; Nachtsheim, Boris J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 74
• Pages of publication: 14169 - 14172
• a: 7.6925 ± 0.0004 Å
• b: 8.6622 ± 0.0004 Å
• c: 20.1522 ± 0.0011 Å
• α: 87.959 ± 0.002°
• β: 87.081 ± 0.002°
• γ: 70.209 ± 0.002°
• Cell volume: 1261.63 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0688
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No