Information card for entry 8101805

Structure parameters

• Chemical name: (2,4,6-trimethyl-phenyl)-[6-(2,4,6-trimethyl-phenyl)-pyridin-2-yl]-amine
• Formula: C23 H26 N2
• Calculated formula: C23 H26 N2
• SMILES: c1(cccc(c2c(cc(cc2C)C)C)n1)Nc1c(cc(cc1C)C)C
• Title of publication: Crystal structure of (2,4,6-trimethyl-phenyl)-[6-(2,4,6-trimethyl- phenyl)-pyridin-2-yl]-amine, C~23~H~26~N~2~
• Authors of publication: T. Schmalz; J. Burkhardt; 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: 405 - 406
• a: 29.968 ± 0.002 Å
• b: 8.156 ± 0.001 Å
• c: 21.365 ± 0.002 Å
• α: 90°
• β: 132.154 ± 0.007°
• γ: 90°
• Cell volume: 3871.3 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0956
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No