Information card for entry 7713796

Structure parameters

• Formula: C45 H36 Ag Cl N3 O2 S0
• Calculated formula: C45 H36 Ag Cl N3 O2
• SMILES: [Ag](Cl)=C1N(C(=C(N1c1nc2c(o1)cccc2)C)C)c1c(cc(OC)cc1C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
• Title of publication: IPr*Oxa – A New Class of Sterically-Hindered, Wingtip-Flexible N,C-Chelating Oxazole-Donor N-Heterocyclic Carbene Ligands
• Authors of publication: Podchorodecka, Pamela; Dziuk, Błażej; Szostak, Roman; Szostak, Michal; Bisz, Elwira
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 18.3597 ± 0.001 Å
• b: 20.6053 ± 0.001 Å
• c: 10.1258 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3830.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No