Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7248310
Preview
| Coordinates | 7248310.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Niraparib tosylate monohydrate |
|---|---|
| Formula | C26 H30 N4 O5 S |
| Calculated formula | C26 H30 N4 O5 S |
| Title of publication | A zwitterionic salt–cocrystal: in vitro insights from niraparib tosylate, an anti-cancer drug |
| Authors of publication | Mudda, Ramesh Reddy; Devarapalli, Ramesh; Das, Arijit; Reddy Lakkireddy, Pulla; Reddy, C. Malla; Chennuru, Ramanaiah |
| Journal of publication | CrystEngComm |
| Year of publication | 2024 |
| Journal volume | 26 |
| Journal issue | 19 |
| Pages of publication | 2463 - 2473 |
| a | 7.1123 ± 0.0002 Å |
| b | 12.6881 ± 0.0003 Å |
| c | 13.3199 ± 0.0003 Å |
| α | 88.7065 ± 0.0017° |
| β | 87.275 ± 0.002° |
| γ | 82.989 ± 0.002° |
| Cell volume | 1191.5 ± 0.05 Å3 |
| Cell temperature | 100 ± 0.11 K |
| Ambient diffraction temperature | 100 ± 0.11 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0955 |
| Residual factor for significantly intense reflections | 0.0921 |
| Weighted residual factors for significantly intense reflections | 0.1954 |
| Weighted residual factors for all reflections included in the refinement | 0.1971 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292960 (current) | 2024-07-05 | cif/ Updating files of 7248310, 7248311 Original log message: Adding full bibliography for 7248310--7248311.cif. |
7248310.cif |
| 290496 | 2024-03-14 | cif/ Adding structures of 7248310, 7248311 via cif-deposit CGI script. |
7248310.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.