Information card for entry 4130033

Structure parameters

• Formula: C23 H23 N3 O3
• Calculated formula: C23 H23 N3 O3
• SMILES: [C@@H]1(N(C(=NN1c1ccc(cc1)OC)c1ccccc1)c1ccc(cc1)OC)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: 10.2142 ± 0.0004 Å
• b: 18.8081 ± 0.0007 Å
• c: 10.5146 ± 0.0004 Å
• α: 90°
• β: 90.0144 ± 0.0018°
• γ: 90°
• Cell volume: 2019.96 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No