Information card for entry 2200538

Structure parameters

• Chemical name: 5-acetamido-1,1,3,3-tetramethylisoindolin-2-yloxyl
• Formula: C14 H19 N2 O2
• Calculated formula: C14 H19 N2 O2
• SMILES: [O]N1C(c2c(cc(NC(=O)C)cc2)C1(C)C)(C)C
• Title of publication: An isoindoline EPR label: 5-acetamido-1,1,3,3-tetramethylisoindolin-2-yloxyl
• Authors of publication: Graham Smith; Steven E. Bottle; Damien A. Reid; Raymond C. Bott
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: o786 - o787
• a: 14.325 ± 0.004 Å
• b: 8.536 ± 0.008 Å
• c: 11.513 ± 0.004 Å
• α: 90°
• β: 91.56 ± 0.02°
• γ: 90°
• Cell volume: 1407.3 ± 1.5 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.113
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes