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Information card for entry 1508698
Preview
Coordinates | 1508698.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H24 N O3 |
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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 Å3 |
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 |
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The link is: https://www.crystallography.net/1508698.html
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