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Information card for entry 7227206
Preview
| Coordinates | 7227206.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Olanzapine-hydroquinone-toluene form II |
|---|---|
| Formula | C30 H34 N4 O2 S |
| Calculated formula | C30 H34 N4 O2 S |
| Title of publication | Designing a new cocrystal of olanzapine drug and observation of concomitant polymorphism in a ternary cocrystal system |
| Authors of publication | Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 2 |
| Pages of publication | 355 |
| a | 9.3202 ± 0.001 Å |
| b | 10.5724 ± 0.0012 Å |
| c | 14.7777 ± 0.0016 Å |
| α | 88.561 ± 0.002° |
| β | 85.685 ± 0.002° |
| γ | 81.729 ± 0.002° |
| Cell volume | 1436.8 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0865 |
| Residual factor for significantly intense reflections | 0.0611 |
| Weighted residual factors for significantly intense reflections | 0.1497 |
| Weighted residual factors for all reflections included in the refinement | 0.1644 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7227206.cif |
| 191551 | 2017-02-04 | cif/ Updating files of 7227206, 7227207 Original log message: Adding full bibliography for 7227206--7227207.cif. |
7227206.cif |
| 188794 | 2016-12-01 | cif/ Adding structures of 7227206, 7227207 via cif-deposit CGI script. |
7227206.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.