Information card for entry 8105567

Structure parameters

• Formula: C14 H19 N2 O4
• Calculated formula: C14 H19 N2 O4
• SMILES: C1(c2cc(c(cc2)O)OC)=N(C(C(C)(C)[N]1=O)(C)C)=O
• Title of publication: The crystal structure of 2-[4-hydroxy-3-methoxyphenyl]-4,4,5,5-tetramethylimidazoline-3-oxide-1-oxyl, C14H19N2O4
• Authors of publication: Yin, Mei; Jing, Lin-Lin; Li, Bo; Liu, Yu-Zhi; Gao, Peng; Wang, Hai-Bo
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 234
• Journal issue: 1
• Pages of publication: 137 - 138
• a: 9.263 ± 0.01 Å
• b: 9.847 ± 0.011 Å
• c: 15.431 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1408 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0892
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No