Information card for entry 1508698

Structure parameters

• Formula: C13 H24 N O3
• Calculated formula: C13 H24 N O3
• SMILES: O=[N]1C(C(CC1(CC)CC)C(=O)O)(CC)CC
• Title of publication: Synthesis and reduction kinetics of sterically shielded pyrrolidine nitroxides.
• Authors of publication: Paletta, Joseph T.; Pink, Maren; Foley, Bridget; Rajca, Suchada; Rajca, Andrzej
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 5322 - 5325
• a: 8.5917 ± 0.0009 Å
• b: 14.176 ± 0.0015 Å
• c: 11.4969 ± 0.0012 Å
• α: 90°
• β: 97.865 ± 0.002°
• γ: 90°
• Cell volume: 1387.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No