Information card for entry 1573764

Structure parameters

• Chemical name: N-(2-(tert-butyl)phenyl)-N-(phenyl(pyridin-2-yl)methyl)propionamide
• Formula: C25 H28 N2 O
• Calculated formula: C25 H28 N2 O
• Title of publication: Stereoselective synthesis of atropisomeric amides enabled by intramolecular acyl transfer.
• Authors of publication: Wootton, Jack M.; Roper, Natalie J.; Morris, Catrin E.; Maguire, Victoria E.; Duff, Lee C.; Waddell, Paul G.; Whitwood, Adrian C.; Gammons, Richard J.; Miah, Afjal H.; Lynam, Jason M.; Armstrong, Roly J.; Unsworth, William P.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 9
• Pages of publication: 3938 - 3945
• a: 9.0247 ± 0.0001 Å
• b: 13.2322 ± 0.0002 Å
• c: 18.6064 ± 0.0003 Å
• α: 100.728 ± 0.001°
• β: 100.909 ± 0.001°
• γ: 105.883 ± 0.001°
• Cell volume: 2030.78 ± 0.05 ų
• Cell temperature: 109.95 ± 0.1 K
• Ambient diffraction temperature: 109.95 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No