Information card for entry 1508700

Structure parameters

• Formula: C15 H24 N O2
• Calculated formula: C15 H24 N O2
• SMILES: O=[N]1C2(CC(=O)CC31CCCCC3)CCCCC2
• 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: 11.5624 ± 0.0012 Å
• b: 11.0144 ± 0.0011 Å
• c: 10.9255 ± 0.0011 Å
• α: 90°
• β: 104.417 ± 0.002°
• γ: 90°
• Cell volume: 1347.6 ± 0.2 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: 0.0509
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No