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Information card for entry 7151093
Preview
| Coordinates | 7151093.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C75 H16 Cl6 N2 O6 |
|---|---|
| Calculated formula | C83 H36 Cl6 N2 O6 |
| SMILES | ClC(Cl)Cl.ClC(Cl)Cl.c12c3c4c5C16C(C(=O)OC1CC([N](=O)C(C1)(C)C)(C)C)(C(=O)OC1CC([N](=O)C(C1)(C)C)(C)C)C16c6c7c5c5c8c4c4c9c3c3c%10c2c2c%11c%10c%10c%12c3c9c3c9c%12c%12c%10c%10c%11c%11c(c12)c6c1c2c7c5c5c6c8c4c3c3c9c4c%12c7c%10c%11c1c1c2c5c(c4c71)c63 |
| Title of publication | Synthesis, structure and biological activity of nitroxide malonate methanofullerenes. |
| Authors of publication | Gubskaya, Valentina P.; Berezhnaya, Lucia Sh; Gubaidullin, Aidar T.; Faingold, Irina I.; Kotelnikova, Raisa A.; Konovalova, Nina P.; Morozov, Vladimir I.; Litvinov, Igor A.; Nuretdinov, Ildus A. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2007 |
| Journal volume | 5 |
| Journal issue | 6 |
| Pages of publication | 976 - 981 |
| a | 25.403 ± 0.009 Å |
| b | 17.845 ± 0.004 Å |
| c | 17.218 ± 0.004 Å |
| α | 90° |
| β | 132.09 ± 0.02° |
| γ | 90° |
| Cell volume | 5792 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.4209 |
| Residual factor for significantly intense reflections | 0.0579 |
| Weighted residual factors for significantly intense reflections | 0.1031 |
| Weighted residual factors for all reflections included in the refinement | 0.1923 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.829 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180296 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/10. |
7151093.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151093.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151093.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. |
7151093.cif |
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