Information card for entry 1575185

Structure parameters

• Chemical name: 3,5-dimethyl-N,N-diphenylpyridin-4-amine
• Formula: C19 H18 N2
• Calculated formula: C19 H18 N2
• Title of publication: Planarisation or a twist? Using steric engineering to unlock the origin of mechanofluorochromic red-shifts.
• Authors of publication: McDonald, Peter W.; Goerigk, Lars; Ritchie, Chris
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 34
• Pages of publication: 15320 - 15332
• a: 9.1685 ± 0.0002 Å
• b: 9.4713 ± 0.0002 Å
• c: 19.6236 ± 0.0004 Å
• α: 87.73 ± 0.002°
• β: 85.797 ± 0.002°
• γ: 62.356 ± 0.002°
• Cell volume: 1505.45 ± 0.06 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No