Information card for entry 4130032

Structure parameters

• Formula: C22 H19 N3 O2
• Calculated formula: C22 H19 N3 O2
• SMILES: [C]1N(c2ccc(cc2)OC)N=C(c2ccccc2)N1c1ccc(cc1)OC
• Title of publication: Proton-Transfer Polymerization by N-Heterocyclic Carbenes: Monomer and Catalyst Scopes and Mechanism for Converting Dimethacrylates into Unsaturated Polyesters.
• Authors of publication: Hong, Miao; Tang, Xiaoyan; Falivene, Laura; Caporaso, Lucia; Cavallo, Luigi; Chen, Eugene Y.-X.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 6
• Pages of publication: 2021 - 2035
• a: 22.185 ± 0.004 Å
• b: 5.4792 ± 0.0009 Å
• c: 15.545 ± 0.002 Å
• α: 90°
• β: 108.489 ± 0.005°
• γ: 90°
• Cell volume: 1792.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0494
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No