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Information card for entry 2020105
Preview
| Coordinates | 2020105.cif |
|---|---|
| Structure factors | 2020105.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-Acrylamido-2,2,6,6-tetramethylpiperidine-1-oxyl |
|---|---|
| Formula | C12 H21 N2 O2 |
| Calculated formula | C12 H21 N2 O2 |
| SMILES | O=[N]1C(C)(C)CC(CC1(C)C)NC(=O)C=C |
| Title of publication | Structure and packing of aminoxyl and piperidinyl acrylamide monomers |
| Authors of publication | Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 10 |
| a | 11.5408 ± 0.0002 Å |
| b | 11.7953 ± 0.0002 Å |
| c | 9.7964 ± 0.0002 Å |
| α | 90° |
| β | 110.299 ± 0.002° |
| γ | 90° |
| Cell volume | 1250.74 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.038 |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for significantly intense reflections | 0.0831 |
| Weighted residual factors for all reflections included in the refinement | 0.087 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181871 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/01 |
2020105.cif 2020105.hkl |
| 158191 | 2015-09-21 | cif/ hkl/ Adding structures of 2020105, 2020106 via cif-deposit CGI script. |
2020105.cif 2020105.hkl |
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Users of the data should acknowledge the original authors of the
structural data.