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Information card for entry 4509861
Preview
| Coordinates | 4509861.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | furosemide tetrahydrofuran solvate |
|---|---|
| Formula | C16 H19 Cl N2 O6 S |
| Calculated formula | C16 H19 Cl N2 O6 S |
| Title of publication | Furosemide Solvates: Can They Serve As Precursors to Different Polymorphs of Furosemide? |
| Authors of publication | Minkov, Vasily S.; Beloborodova, Alina A.; Drebushchak, Valeri A.; Boldyreva, Elena V. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 2 |
| Pages of publication | 513 |
| a | 10.9529 ± 0.0005 Å |
| b | 8.3816 ± 0.0003 Å |
| c | 20.0071 ± 0.0009 Å |
| α | 90° |
| β | 95.024 ± 0.004° |
| γ | 90° |
| Cell volume | 1829.65 ± 0.13 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| 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 | 0.0499 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for significantly intense reflections | 0.0825 |
| Weighted residual factors for all reflections included in the refinement | 0.0865 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179634 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/98. |
4509861.cif |
| 104093 | 2014-03-10 | cif/ Adding structures of 4509861 via cif-deposit CGI script. |
4509861.cif |
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Users of the data should acknowledge the original authors of the
structural data.