Information card for entry 2220073

Structure parameters

• Chemical name: 2,6-Bis[1-(2,6-diethylphenylimino)ethyl]pyridine
• Formula: C29 H35 N3
• Calculated formula: C29 H35 N3
• SMILES: N(=C(\c1nc(ccc1)/C(=N/c1c(cccc1CC)CC)C)C)/c1c(cccc1CC)CC
• Title of publication: 2,6-Bis[1-(2,6-diethylphenylimino)ethyl]pyridine
• Authors of publication: Yang, Yu-lin; Fan, Rui-qing; Li, Wen-hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2368
• a: 7.939 ± 0.0008 Å
• b: 12.3208 ± 0.0013 Å
• c: 25.998 ± 0.003 Å
• α: 90°
• β: 96.234 ± 0.002°
• γ: 90°
• Cell volume: 2528 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• 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: 0.1315
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes