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Information card for entry 7218161
Preview
| Coordinates | 7218161.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H22 Cl N4 O6 S |
|---|---|
| Calculated formula | C25 H22 Cl N4 O6 S |
| Title of publication | A robust two-dimensional hydrogen-bonded network for the predictable assembly of ternary co-crystals of furosemide |
| Authors of publication | Srirambhatla, Vijay K.; Kraft, Arno; Watt, Stephen; Powell, Anthony V. |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 43 |
| Pages of publication | 9979 |
| a | 6.9302 ± 0.0004 Å |
| b | 9.9356 ± 0.0006 Å |
| c | 18.6298 ± 0.0011 Å |
| α | 83.633 ± 0.003° |
| β | 89.624 ± 0.003° |
| γ | 72.794 ± 0.003° |
| Cell volume | 1217.34 ± 0.13 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0543 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for all reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.0366 |
| Weighted residual factors for all reflections included in the refinement | 0.0366 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0981 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7218161.cif |
| 180512 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/81. |
7218161.cif |
| 126367 | 2014-11-06 | cif/ Updating files of 7218156, 7218157, 7218158, 7218159, 7218160, 7218161 Original log message: Adding full bibliography for 7218156--7218161.cif. |
7218161.cif |
| 124026 | 2014-09-20 | cif/ Adding structures of 7218156, 7218157, 7218158, 7218159, 7218160, 7218161 via cif-deposit CGI script. |
7218161.cif |
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Users of the data should acknowledge the original authors of the
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