Information card for entry 1516838

Structure parameters

• Formula: C19 H27 N4 O3
• Calculated formula: C19 H27 N4 O3
• SMILES: O(c1ccc(C2=NN(C(C)C)C(=O)[N](=N2)C(C)C)cc1)C(=O)C(C)(C)C
• Title of publication: 6-Oxoverdazyl radical polymers with tunable electrochemical properties
• Authors of publication: Price, Jacquelyn T.; Paquette, Joseph A.; Harrison, Christopher S.; Bauld, Reg; Fanchini, Giovanni; Gilroy, Joe B.
• Journal of publication: Polymer Chemistry
• Year of publication: 2014
• a: 18.93 ± 0.007 Å
• b: 5.8718 ± 0.0019 Å
• c: 18.364 ± 0.005 Å
• α: 90°
• β: 105.364 ± 0.012°
• γ: 90°
• Cell volume: 1968.3 ± 1.1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0891
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No