Information card for entry 8101826

Structure parameters

• Chemical name: (2,6-diisopropyl-phenyl)-[6-(2,6-dimethyl-phenyl)-pyridin-2-yl-metylene]-amine
• Formula: C26 H30 N2
• Calculated formula: C26 H30 N2
• SMILES: n1c(cccc1/C=N/c1c(cccc1C(C)C)C(C)C)c1c(cccc1C)C
• Title of publication: Crystal structure of (2,6-diisopropyl-phenyl)-[6-(2,6-dimethyl-phenyl)- pyridin-2-yl-methylene]-amine, C~26~H~30~N~2~
• Authors of publication: H. Maisel; S. Keller; T. Irrgang; R. Kempe
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 3
• Pages of publication: 463 - 464
• a: 20.434 ± 0.002 Å
• b: 8.551 ± 0.001 Å
• c: 26.498 ± 0.002 Å
• α: 90°
• β: 102.889 ± 0.001°
• γ: 90°
• Cell volume: 4513.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1748
• Weighted residual factors for all reflections included in the refinement: 0.1874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No