Information card for entry 1516839

Structure parameters

• Formula: C14 H19 N4 O
• Calculated formula: C14 H19 N4 O
• SMILES: O=C1N(N=C(N=[N]1C(C)C)c1ccccc1)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: 16.219 ± 0.007 Å
• b: 15.484 ± 0.009 Å
• c: 5.7192 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1436.3 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No