Information card for entry 7117153

Structure parameters

• Formula: C19 H19 Ag N4
• Calculated formula: C19 H19 Ag N4
• SMILES: [Ag](C#N)c1c(c2ccccc2)[n+](nn1c1c(C)cc(C)cc1C)C
• Title of publication: Silver(I) NHC mediated C-C bond activation of alkyl nitriles and catalytic efficiency in oxazoline synthesis
• Authors of publication: Rachael Heath; Helge Muller-Bunz; Martin Albrecht
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 8699
• a: 9.59019 ± 0.00008 Å
• b: 10.57651 ± 0.00009 Å
• c: 17.1999 ± 0.0002 Å
• α: 90°
• β: 90.1567 ± 0.0007°
• γ: 90°
• Cell volume: 1744.59 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0226
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections included in the refinement: 0.0464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No