Information card for entry 8102220

Structure parameters

• Chemical name: (4,6-dimethyl-pyridin-2-yl)-(6-(2,4,6-triisopropyl-phenyl)-pyridin-2-yl)-amine
• Formula: C27 H35 N3
• Calculated formula: C27 H35 N3
• SMILES: c1(cccc(c2c(cc(cc2C(C)C)C(C)C)C(C)C)n1)Nc1cc(cc(C)n1)C
• Title of publication: Crystal structure of (4,6-dimethyl-pyridin-2-yl)-(6-(2,4,6-triisopropyl-phenyl)-pyridin-2-yl)-amine, (C20H26N)(C7H8N)NH
• Authors of publication: Sadaf Qayyum; Germund Glatz; Torsten Irrgang; Rhett Kempe
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 1
• Pages of publication: 48
• a: 34.07 ± 0.0017 Å
• b: 9.145 ± 0.0004 Å
• c: 15.906 ± 0.0008 Å
• α: 90°
• β: 103.214 ± 0.004°
• γ: 90°
• Cell volume: 4824.6 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.069
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No