Information card for entry 8102145

Structure parameters

• Chemical name: (2,6-diisopropyl-phenyl)-pyridin-2-yl-amine toluene solvate
• Formula: C20.5 H26 N2
• Calculated formula: C41 H52 N4
• Title of publication: Crystal structure of (2,6-diisopropyl-phenyl)-pyridin-2-yl-amine toluene hemisolvate, C~17~H~22~N~2~ · 0.5C~7~H~8~
• Authors of publication: Noor, Awal; Irrgang, Torsten; Glatz, Germund; Kempe, Rhett
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 3
• Pages of publication: 263 - 264
• a: 13.964 ± 0.0008 Å
• b: 15.146 ± 0.0009 Å
• c: 17.621 ± 0.0014 Å
• α: 90°
• β: 105.772 ± 0.007°
• γ: 90°
• Cell volume: 3586.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0542
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No