Information card for entry 1554835

Structure parameters

• Chemical name: (Z)-N'-mesitylpivalimidamide
• Formula: C14 H22 N2
• Calculated formula: C14 H22 N2
• SMILES: C(=N\c1c(cc(C)cc1C)C)(/C(C)(C)C)N
• Title of publication: Base-stabilized nitrilium ions as convenient imine synthons.
• Authors of publication: van Dijk, Tom; Bakker, Martijn S.; Holtrop, Flip; Nieger, Martin; Slootweg, J. Chris; Lammertsma, Koop
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 6
• Pages of publication: 1461 - 1464
• a: 26.3163 ± 0.0012 Å
• b: 26.3163 ± 0.0012 Å
• c: 10.403 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6239.3 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No