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Information card for entry 8000178
Preview
| Coordinates | 8000178.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H18 N O |
|---|---|
| Calculated formula | C9 H18 N O |
| SMILES | O=[N]1C(CCCC1(C)C)(C)C |
| Title of publication | Structural Implication of Oxoammonium Cations for Reversible Organic One-electron Redox Reaction to Nitroxide Radicals |
| Authors of publication | Yonekuta, Yasunori; Oyaizu, Kenichi; Nishide, Hiroyuki |
| Journal of publication | Chemistry Letters |
| Year of publication | 2007 |
| Journal volume | 36 |
| Journal issue | 7 |
| Pages of publication | 866 |
| a | 21.332 ± 0.005 Å |
| b | 22.771 ± 0.005 Å |
| c | 7.9362 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3855 ± 1.5 Å3 |
| Cell temperature | 93.1 K |
| Number of distinct elements | 4 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for significantly intense reflections | 0.0643 |
| Weighted residual factors for all reflections included in the refinement | 0.065 |
| Goodness-of-fit parameter for all reflections included in the refinement | 6.436 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176466 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8000178.cif |
| 94314 | 2014-01-22 | cif/ Adding structures of 8000178 via cif-deposit CGI script. |
8000178.cif |
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Users of the data should acknowledge the original authors of the
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