Information card for entry 7117152

Structure parameters

• Formula: C18.86 H19 Ag I0.14 N3.86
• Calculated formula: C18.8644 H19 Ag I0.1356 N3.8644
• 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: 9.6546 ± 0.0002 Å
• b: 10.6457 ± 0.0002 Å
• c: 17.115 ± 0.0003 Å
• α: 90°
• β: 90.385 ± 0.002°
• γ: 90°
• Cell volume: 1759.04 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0336
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No