Information card for entry 4121204

Structure parameters

• Formula: C26 H32 N2 O2
• Calculated formula: C26 H32 N2 O2
• SMILES: O=C(OC)C(C=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)C
• Title of publication: Organocatalytic Conjugate-Addition Polymerization of Linear and Cyclic Acrylic Monomers by N-Heterocyclic Carbenes: Mechanisms of Chain Initiation, Propagation, and Termination
• Authors of publication: Yuetao Zhang; Meghan Schmitt; Laura Falivene; Lucia Caporaso; Luigi Cavallo; Eugene Y.-X. Chen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 17925 - 17942
• a: 40.091 ± 0.005 Å
• b: 7.8348 ± 0.0009 Å
• c: 16.111 ± 0.002 Å
• α: 90°
• β: 113.26 ± 0.008°
• γ: 90°
• Cell volume: 4649.2 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No