Information card for entry 7114332

Structure parameters

• Common name: 01SW061
• Chemical name: [1-(2-pyridyl-6-trimethylsilyl)]-3-[(2,6-diisopropyl)phenyl]-imidazol-2-ylidene
• Formula: C23 H31 N3 Si
• Calculated formula: C23 H31 N3 Si
• SMILES: [C]1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1cccc([Si](C)(C)C)n1
• Title of publication: Synthesis and structural characterisation of stable pyridine- and phosphine-functionalised N-heterocyclic carbenes
• Authors of publication: Danopoulos, Andreas A.; Winston, Scott; Gelbrich, Thomas; Hursthouse, Michael B.; Tooze, Robert P.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 5
• Pages of publication: 482
• a: 22.1736 ± 0.0005 Å
• b: 10.6162 ± 0.0002 Å
• c: 22.1766 ± 0.0006 Å
• α: 90°
• β: 99.195 ± 0.001°
• γ: 90°
• Cell volume: 5153.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.2662
• Residual factor for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections: 0.3041
• Weighted residual factors for significantly intense reflections: 0.1792
• Goodness-of-fit parameter for all reflections: 1.296
• Goodness-of-fit parameter for significantly intense reflections: 1.72
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No