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Information card for entry 7151758
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| Coordinates | 7151758.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C10 H16 N2 O2 Se |
|---|---|
| Calculated formula | C10 H16 N2 O2 Se |
| SMILES | [Se](CCC(=O)O)CCn1nc(cc1C)C |
| Title of publication | Synthesis, characterization and structures of 2-(3,5-dimethylpyrazol-1-yl)ethylseleno derivatives and their probable glutathione peroxidase (GPx) like activity. |
| Authors of publication | Hodage, Ananda S.; Phadnis, Prasad P.; Wadawale, Amey; Priyadarsini, K. I.; Jain, Vimal K. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 8 |
| Pages of publication | 2992 - 2998 |
| a | 13.2 ± 0.005 Å |
| b | 11.169 ± 0.005 Å |
| c | 7.993 ± 0.004 Å |
| α | 90° |
| β | 92.12 ± 0.04° |
| γ | 90° |
| Cell volume | 1177.6 ± 0.9 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 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 all reflections | 0.1006 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.0775 |
| Weighted residual factors for all reflections included in the refinement | 0.0977 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7151758.cif |
| 180303 | 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 7/15/17. |
7151758.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151758.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151758.cif |
| 21255 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7151757, 7151758 via cif-deposit CGI script. |
7151758.cif |
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Users of the data should acknowledge the original authors of the
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