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Information card for entry 7249641
Preview
| Coordinates | 7249641.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H15 N3 O4 |
|---|---|
| Calculated formula | C19 H15 N3 O4 |
| Title of publication | Exploring Novel Cocrystals of Milrinone: A Cardioprotective Drug Combined with Nutraceuticals and NSAID |
| Authors of publication | Kenguva, Gowtham; Rekha Rout, Smruti; Shaikh, Tabrez R.; Baidya, Debjani; Shelke, Nikita; Sanphui, Palash; Dandela, Rambabu |
| Journal of publication | CrystEngComm |
| Year of publication | 2024 |
| a | 8.012 ± 0.0003 Å |
| b | 16.7621 ± 0.0007 Å |
| c | 12.6282 ± 0.0005 Å |
| α | 90° |
| β | 91.0102 ± 0.0003° |
| γ | 90° |
| Cell volume | 1695.68 ± 0.12 Å3 |
| Cell temperature | 293.15 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1065 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for significantly intense reflections | 0.1286 |
| Weighted residual factors for all reflections included in the refinement | 0.1809 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296127 (current) | 2024-11-27 | cif/ Adding structures of 7249640, 7249641, 7249642 via cif-deposit CGI script. |
7249641.cif |
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Users of the data should acknowledge the original authors of the
structural data.