Information card for entry 4065231

Structure parameters

• Common name: compound 1c
• Chemical name: 3-(2-((tert-butoxycarbonyl)amino)ethyl)-1-trityl-1H-imidazol-3-ium chloride
• Formula: C29 H34 Cl N3 O3
• Calculated formula: C29 H34 Cl N3 O3
• SMILES: [Cl-].O=C(OC(C)(C)C)NCC[n+]1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.O
• Title of publication: N-Heterocyclic Carbene-Amide Rhodium(I) Complexes: Structures, Dynamics, and Catalysis
• Authors of publication: Busetto, Luigi; Cassani, M. Cristina; Femoni, Cristina; Mancinelli, Michele; Mazzanti, Andrea; Mazzoni, Rita; Solinas, Gavino
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 19
• Pages of publication: 5258
• a: 8.5286 ± 0.0009 Å
• b: 17.0903 ± 0.0018 Å
• c: 18.91 ± 0.002 Å
• α: 90°
• β: 93.271 ± 0.001°
• γ: 90°
• Cell volume: 2751.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No