Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7239100
Preview
| Coordinates | 7239100.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (palmitoyloxy) methyl 2-methyl-4-(4-methylpiperazin-1-yl)-4H-benzo[b]thieno[2,3-e][1,4]diazepine-5-carboxylate |
|---|---|
| Formula | C25 H32 N4 O4 S |
| Calculated formula | C25 H32 N4 O4 S |
| Title of publication | Novel N-5-(acyloxyalkoxy)carbonyl prodrugs of olanzapine with physicochemical properties for extended-release |
| Authors of publication | Blumberg, Laura C.; Zeidan, Tarek A.; Maddaford, Adrian; Warren, Nicole C.; Hutchison, Panee |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 37 |
| Pages of publication | 16270 |
| a | 10.5728 ± 0.0002 Å |
| b | 14.8243 ± 0.0003 Å |
| c | 16.8046 ± 0.0003 Å |
| α | 90° |
| β | 104.795 ± 0.001° |
| γ | 90° |
| Cell volume | 2546.53 ± 0.08 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0744 |
| Residual factor for significantly intense reflections | 0.0505 |
| Weighted residual factors for significantly intense reflections | 0.1325 |
| Weighted residual factors for all reflections included in the refinement | 0.1497 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7239100.cif |
| 244545 | 2019-11-28 | cif/ Adding structures of 7239098, 7239099, 7239100 via cif-deposit CGI script. |
7239100.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.