Information card for entry 8102152

Structure parameters

• Chemical name: (2,6-diisopropyl-phenyl)-[6-(2,6-dimethyl-phenyl)-pyridin-2-yl]-amine- (2,6-diisopropyl-phenyl)-[6-(2,6-dimethyl-phenyl)-pyridin-2-yl]-amido-lithium
• Formula: C50 H59 Li N4
• Calculated formula: C50 H59 Li N4
• SMILES: c12[n](c(ccc1)c1c(cccc1C)C)[Li](N2c1c(cccc1C(C)C)C(C)C)[n]1c(cccc1Nc1c(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)-amine-(2,6-diisopropylphenyl)-(6-(2,6-dimethyl-phenyl)- pyridin-2-yl)-amidolithium, Li(C~25~H~29~N~2~)(C~25~H~30~N~2~)
• Authors of publication: Espiga Ayuso, Andrea; 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: 281 - 283
• a: 10.712 ± 0.0008 Å
• b: 19.47 ± 0.0016 Å
• c: 20.681 ± 0.0019 Å
• α: 90°
• β: 94.178 ± 0.007°
• γ: 90°
• Cell volume: 4301.8 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1871
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 0.861
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No