Information card for entry 7127019

Structure parameters

• Formula: C2 H5 F6 N2 Sb
• Calculated formula: C2 H5 F6 N2 Sb
• SMILES: [Sb](F)(F)(F)(F)([F-])F.[NH3+]CC#N
• Title of publication: Evidence and exploitation of dicationic ammonium-nitrilium superelectrophiles: direct synthesis of unsaturated piperidinones.
• Authors of publication: Cantin, Thomas; Morgenstern, Yvonne; Mingot, Agnès; Kornath, Andreas; Thibaudeau, Sébastien
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 75
• Pages of publication: 11110 - 11113
• a: 7.7291 ± 0.0003 Å
• b: 9.3482 ± 0.0004 Å
• c: 10.1754 ± 0.0004 Å
• α: 90°
• β: 97.481 ± 0.004°
• γ: 90°
• Cell volume: 728.95 ± 0.05 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No