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Information card for entry 7151108
Preview
| Coordinates | 7151108.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2-Amino-9-(2-(4-(1-oxyl-3-oxido-4,4,5,5-tetramethyl- imidazolidin-2-yl)-phenoxy)-ethyl)-1,9-dihydro-purin-6-one |
|---|---|
| Chemical name | 2-Amino-9-{2-[4-(1-oxyl-3-oxido-4,4,5,5-tetramethyl- imidazolidin-2-yl)-phenoxy]-ethyl}-1,9-dihydro-purin-6-one |
| Formula | C21 H25 Cl3 N7 O4 |
| Calculated formula | C21 H25 Cl3 N7 O4 |
| SMILES | ClC(Cl)Cl.O=[N]1C(=N(=O)C(C1(C)C)(C)C)c1ccc(OCCn2c3nc([nH]c(=O)c3nc2)N)cc1 |
| Title of publication | A guanine-substituted nitronyl nitroxide radical forming a one-dimensional ferromagnetic chain. |
| Authors of publication | Maekawa, Kensuke; Shiomi, Daisuke; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2007 |
| Journal volume | 5 |
| Journal issue | 10 |
| Pages of publication | 1641 - 1645 |
| a | 8.38 ± 0.007 Å |
| b | 10.583 ± 0.008 Å |
| c | 29.23 ± 0.03 Å |
| α | 90° |
| β | 99.424 ± 0.01° |
| γ | 90° |
| Cell volume | 2557 ± 4 Å3 |
| Cell temperature | 183.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0819 |
| Weighted residual factors for all reflections included in the refinement | 0.1968 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7151108.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151108.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151108.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. |
7151108.cif |
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