Information card for entry 1516840

Structure parameters

• Formula: C14 H19 B F4 N4 O
• Calculated formula: C14 H19 B F4 N4 O
• SMILES: [n+]1(c(=O)n(nc(c2ccccc2)n1)C(C)C)C(C)C.[B](F)(F)(F)[F-]
• 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: 8.1059 ± 0.0016 Å
• b: 13.501 ± 0.005 Å
• c: 15.435 ± 0.006 Å
• α: 90°
• β: 99.864 ± 0.01°
• γ: 90°
• Cell volume: 1664.2 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0818
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1489
• Weighted residual factors for all reflections included in the refinement: 0.1685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No