Information card for entry 7050456

Structure parameters

• Formula: C11 H15 N2 O2 S
• Calculated formula: C11 H15 N2 O2 S
• SMILES: s1ccc(c1)C1=N(C(C(C)(C)[N]1=O)(C)C)=O
• 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: 23.949 ± 0.002 Å
• b: 8.2983 ± 0.0009 Å
• c: 12.3808 ± 0.0013 Å
• α: 90°
• β: 105.442 ± 0.002°
• γ: 90°
• Cell volume: 2371.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No