Information card for entry 7029881

Structure parameters

• Chemical name: 2,6-Diisopropyl-N-(2-pyridinylmethylene)phenylamine
• Formula: C18 H22 N2
• Calculated formula: C18 H22 N2
• SMILES: N(=C\c1ncccc1)/c1c(C(C)C)cccc1C(C)C
• Title of publication: Facile oxidation of NHC-Au(i) to NHC-Au(iii) complexes by CsBr3.
• Authors of publication: Kriechbaum, Margit; Otte, Daniela; List, Manuela; Monkowius, Uwe
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 23
• Pages of publication: 8781 - 8791
• a: 15.3674 ± 0.0011 Å
• b: 15.3674 ± 0.0011 Å
• c: 13.9783 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3301.1 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No