Information card for entry 7050455

Structure parameters

• Formula: C15 H18 N3 O2
• Calculated formula: C15 H18 N3 O2
• SMILES: O=N1=C([N](=O)C(C1(C)C)(C)C)c1ccc2[nH]ccc2c1
• 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: 10.1447 ± 0.0008 Å
• b: 13.1725 ± 0.0008 Å
• c: 11.4922 ± 0.0008 Å
• α: 90°
• β: 114.697 ± 0.008°
• γ: 90°
• Cell volume: 1395.24 ± 0.19 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 0.654
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No