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Information card for entry 7715511
Preview
| Coordinates | 7715511.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H26 Ba N4 O12 S2 |
|---|---|
| Calculated formula | C26 H26 Ba N4 O12 S2 |
| Title of publication | Structural insight and <i>in silico</i> prediction of the pharmacokinetic parameters and toxicity of alkaline earth metal compounds strontium and barium with the non-steroidal anti-inflammatory drug nimesulide. |
| Authors of publication | Rybczyńska, Małgorzata; Sikorski, Artur |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2024 |
| Journal volume | 53 |
| Journal issue | 15 |
| Pages of publication | 6501 - 6506 |
| a | 26.215 ± 0.0011 Å |
| b | 7.9077 ± 0.0003 Å |
| c | 31.5526 ± 0.0017 Å |
| α | 90° |
| β | 113.318 ± 0.006° |
| γ | 90° |
| Cell volume | 6006.6 ± 0.5 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0521 |
| Residual factor for significantly intense reflections | 0.0358 |
| Weighted residual factors for significantly intense reflections | 0.0682 |
| Weighted residual factors for all reflections included in the refinement | 0.0734 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291642 (current) | 2024-05-05 | cif/ Updating files of 7715510, 7715511 Original log message: Adding full bibliography for 7715510--7715511.cif. |
7715511.cif |
| 290595 | 2024-03-22 | cif/ Adding structures of 7715510, 7715511 via cif-deposit CGI script. |
7715511.cif |
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Users of the data should acknowledge the original authors of the
structural data.