Information card for entry 4024593

Structure parameters

• Formula: C73 H65 Ag2 Cl5 N4
• Calculated formula: C73 H65 Ag2 Cl5 N4
• SMILES: [Ag](Cl)[C@@H]1N([C@H]([C@@H](N1c1c(cccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1c(cc(cc1C)C)C.ClC(Cl)Cl
• Title of publication: Monodentate Non-C2-symmetric Chiral N-Heterocyclic Carbene Complexes for Enantioselective Synthesis. Cu-Catalyzed Conjugate Additions of Aryl- and Alkenylsilylfluorides to Cyclic Enones
• Authors of publication: Kang-sang Lee; Amir H. Hoveyda
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 4455 - 4462
• a: 10.4876 ± 0.0012 Å
• b: 23.375 ± 0.003 Å
• c: 26.449 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6483.9 ± 1.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No