Information card for entry 7026700

Structure parameters

• Chemical name: N-(2,6-diisopropyl)phenyl-N,N-(2,2'-dipyridyl)amine
• Formula: C22 H25 N3
• Calculated formula: C22 H25 N3
• SMILES: N(c1ncccc1)(c1ncccc1)c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis and characterization of aryl substituted bis(2-pyridyl)amines and their copper olefin complexes: investigation of remote steric control over olefin binding.
• Authors of publication: Allen, John J.; Hamilton, Christopher E.; Barron, Andrew R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 47
• Pages of publication: 11451 - 11468
• a: 8.366 ± 0.0017 Å
• b: 14.39 ± 0.003 Å
• c: 16.817 ± 0.003 Å
• α: 100.9 ± 0.03°
• β: 100.91 ± 0.03°
• γ: 95.05 ± 0.03°
• Cell volume: 1935.9 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Ambient diffracton pressure: 101.33 kPa
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.204
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.192
• Goodness-of-fit parameter for all reflections included in the refinement: 0.821
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No