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Information card for entry 7205000
Preview
| Coordinates | 7205000.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,2,3,5,6,7-hexahydro-1,1,3,3,5,5,7,7-octamethylbenzo[1,2-c:4,5-c']- dipyrrol-2,6-diyloxyl |
|---|---|
| Formula | C18 H26 N2 O2 |
| Calculated formula | C18 H26 N2 O2 |
| SMILES | C1(c2c(C([N]1=O)(C)C)cc1C([N](C(c1c2)(C)C)=O)(C)C)(C)C |
| Title of publication | New isoindoline aminoxyl based polyradicals for spin probes and molecular magnetic materials |
| Authors of publication | Smith, Craig D.; Bott, Raymond C.; Bottle, Steven E.; Micallef, Aaron S.; Smith, Graham |
| Journal of publication | Journal of the Chemical Society, Perkin Transactions 2 |
| Year of publication | 2002 |
| Journal issue | 3 |
| Pages of publication | 533 |
| a | 6.332 ± 0.002 Å |
| b | 13.4029 ± 0.0017 Å |
| c | 11.2087 ± 0.0017 Å |
| α | 90° |
| β | 92.007 ± 0.019° |
| γ | 90° |
| Cell volume | 950.7 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.2415 |
| Residual factor for significantly intense reflections | 0.0731 |
| Weighted residual factors for significantly intense reflections | 0.2023 |
| Weighted residual factors for all reflections included in the refinement | 0.2581 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.166 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180381 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/50. |
7205000.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7205000.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205000.cif |
| 4036 | 2010-12-16 | ../uploads/cif-deposit/cod/cif Adding structures of 7205000 via cif-deposit CGI script. |
7205000.cif |
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