Information card for entry 2200060

Structure parameters

• Chemical name: 3-ethoxycarbonyl- 2,2,5,5-tetramethyl-1H-2,5-dihydropyrrol-1-yloxyl
• Formula: C11 H18 N O3
• Calculated formula: C11 H18 N O3
• SMILES: C1(C(=CC([N]1=O)(C)C)C(=O)OCC)(C)C
• Title of publication: 3-Ethoxycarbonyl-2,2,5,5-tetramethyl-1<i>H</i>-2,5-dihydropyrrol-1-yloxyl
• Authors of publication: Duskova, Jarmila; Jiri Labsky; Jindrich Hasek; Ivana Cisarova
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: o85 - o86
• a: 10.471 ± 0.0004 Å
• b: 9.37 ± 0.0003 Å
• c: 12.35 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1211.7 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes