Information card for entry 2239122

Structure parameters

• Chemical name: 2,6-Bis[1-(2,4,6-trimethylphenylimino)ethyl]pyridine
• Formula: C27 H31 N3
• Calculated formula: C27 H31 N3
• SMILES: CC(=N\c1c(C)cc(cc1C)C)/c1cccc(n1)/C(=N/c1c(C)cc(cc1C)C)C
• Title of publication: 2,6-Bis[1-(2,4,6-trimethylphenylimino)ethyl]pyridine
• Authors of publication: Boyt, Stuart M.; Chaplin, Adrian B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: o73
• a: 8.2098 ± 0.0003 Å
• b: 11.4125 ± 0.0004 Å
• c: 13.0619 ± 0.0004 Å
• α: 79.224 ± 0.003°
• β: 77.066 ± 0.003°
• γ: 76.645 ± 0.003°
• Cell volume: 1148.65 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.046
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes