Information card for entry 7050454

Structure parameters

• Formula: C17 H19 N2 O S
• Calculated formula: C17 H18.3333 N2 O S
• Title of publication: Synthesis, crystal structures and electronic properties of imidazoline nitroxide radicals bearing active groups in electropolymerisation
• Authors of publication: Coronado, Eugenio; Giménez-Saiz, Carlos; Nicolas, Mael; Romero, Francisco M.; Rusanov, Eduard; Stoeckli-Evans, Helen
• Journal of publication: New Journal of Chemistry
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 3
• Pages of publication: 490
• a: 9.3399 ± 0.0009 Å
• b: 11.1211 ± 0.0012 Å
• c: 23.606 ± 0.002 Å
• α: 89.342 ± 0.012°
• β: 85.858 ± 0.011°
• γ: 75.866 ± 0.012°
• Cell volume: 2371.5 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1332
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 0.789
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No