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Information card for entry 7202473
Preview
| Coordinates | 7202473.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C31 H30 N O |
|---|---|
| Calculated formula | C31 H30 N O |
| SMILES | C1(c2c(ccc(c2)c2ccccc2)[N](c2c1cc(cc2)c1ccccc1)=O)(CCC)CCC |
| Title of publication | Synthesis and through-bond spin interaction of stable 1,3-phenylene-linked polyradical carrying aminoxyls in the ?-conjugated main chain |
| Authors of publication | Oka, Hiroyuki; Kouno, Hiroshi; Tanaka, Hitoshi |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2007 |
| Journal volume | 17 |
| Journal issue | 12 |
| Pages of publication | 1209 |
| a | 11.0586 ± 0.0006 Å |
| b | 25.0054 ± 0.0011 Å |
| c | 9.3633 ± 0.0007 Å |
| α | 90° |
| β | 108.299 ± 0.002° |
| γ | 90° |
| Cell volume | 2458.3 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0494 |
| Residual factor for significantly intense reflections | 0.0451 |
| Weighted residual factors for significantly intense reflections | 0.1087 |
| Weighted residual factors for all reflections included in the refinement | 0.1142 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7202473.cif |
| 180355 | 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 7/20/24. |
7202473.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7202473.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7202473.cif |
| 1188 | 2010-06-06 | cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories. |
7202473.cif |
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Users of the data should acknowledge the original authors of the
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