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Information card for entry 7151757
Preview
Coordinates | 7151757.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C9 H14 N2 O2 Se |
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Calculated formula | C9 H14 N2 O2 Se |
SMILES | [Se](CCn1nc(cc1C)C)CC(=O)O |
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 | 8.37 ± 0.003 Å |
b | 11 ± 0.004 Å |
c | 12.192 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1122.5 ± 0.6 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.1054 |
Residual factor for significantly intense reflections | 0.04 |
Weighted residual factors for significantly intense reflections | 0.0965 |
Weighted residual factors for all reflections included in the refinement | 0.1178 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
Diffraction radiation wavelength | 0.71069 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. |
7151757.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. |
7151757.cif |
120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151757.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151757.cif |
21255 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7151757, 7151758 via cif-deposit CGI script. |
7151757.cif |
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Users of the data should acknowledge the original authors of the
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