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Information card for entry 7205855
Preview
| Coordinates | 7205855.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2 |
|---|---|
| Chemical name | magnesium naproxen monohydrate |
| Formula | C28 H28 Mg O7 |
| Calculated formula | C28 H28 Mg O7 |
| Title of publication | A rational approach to screen for hydrated forms of the pharmaceutical derivative magnesium naproxen using liquid-assisted grinding |
| Authors of publication | Friščić, Tomislav; Halasz, Ivan; Strobridge, Fiona C.; Dinnebier, Robert E.; Stein, Robin S.; Fábián, László; Curfs, Caroline |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 9 |
| Pages of publication | 3125 |
| a | 14.0543 ± 0.0003 Å |
| b | 6.1624 ± 0.0002 Å |
| c | 15.0156 ± 0.0005 Å |
| α | 90° |
| β | 111.797 ± 0.001° |
| γ | 90° |
| Cell volume | 1207.5 ± 0.06 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0593 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.0838 |
| Weighted residual factors for all reflections included in the refinement | 0.0914 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180389 (current) | 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 7/20/58. |
7205855.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205855.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205855.cif |
| 21033 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7205855, 7205856 via cif-deposit CGI script. |
7205855.cif |
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Users of the data should acknowledge the original authors of the
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