Information card for entry 1568408

Structure parameters

• Formula: C26 H30 B2 Cl2 F8 N6
• Calculated formula: C26 H30 B2 Cl2 F8 N6
• Title of publication: On pyridine chloronium cations
• Authors of publication: Pröhm, Patrick; Berg, Willi; Rupf, Susanne Margot; Müller, Carsten; Riedel, Sebastian
• Journal of publication: Chemical Science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 2325 - 2329
• a: 15.093 ± 0.009 Å
• b: 14.455 ± 0.007 Å
• c: 15.759 ± 0.008 Å
• α: 90°
• β: 108.451 ± 0.018°
• γ: 90°
• Cell volume: 3261 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No