Information card for entry 1515340

Structure parameters

• Formula: C25 H24 N4 O3
• Calculated formula: C25 H24 N4 O3
• SMILES: c1ccccc1C1=NN(C)C(=O)N(C)N1C(COC(=O)c1ccccc1)c1ccccc1
• Title of publication: A comparison of verdazyl radicals modified at the 3-position as mediators in the living radical polymerisation of styrene and n-butyl acrylate
• Authors of publication: Rayner, Georgina; Smith, Timothy; Barton, William; Newton, Mark; Deeth, Robert J.; Prokes, Ivan; Clarkson, Guy J.; Haddleton, David M.
• Journal of publication: Polymer Chemistry
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 8
• Pages of publication: 2254
• a: 8.56617 ± 0.00018 Å
• b: 34.5561 ± 0.0006 Å
• c: 7.35229 ± 0.00014 Å
• α: 90°
• β: 95.27 ± 0.0018°
• γ: 90°
• Cell volume: 2167.18 ± 0.07 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: 0.0401
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No