Information card for entry 4121205

Structure parameters

• Formula: C16 H28 N2 O4
• Calculated formula: C16 H28 N2 O4
• SMILES: O(C)C(=O)C=C([O-])OC.n1(c[n+](cc1)C(C)(C)C)C(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: 10.3046 ± 0.001 Å
• b: 14.9806 ± 0.0015 Å
• c: 12.1361 ± 0.0012 Å
• α: 90°
• β: 111.332 ± 0.004°
• γ: 90°
• Cell volume: 1745.1 ± 0.3 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: 0.0441
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No