Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2108526
Preview
| Coordinates | 2108526.cif |
|---|---|
| Structure factors | 2108526.hkl |
| Original paper (by DOI) | HTML |
| Formula | C50 H82 Cl2 N8 O14 S4 |
|---|---|
| Calculated formula | C50 H82 Cl2 N8 O14 S4 |
| Title of publication | Solvates of acotiamide hydrochloride: characterization and phase transformation |
| Authors of publication | Zhang, Guoshun; Wang, Na; Shang, Xiaoqing; Zhang, Lifeng; Wang, Ruili; Zhang, Shuqiu |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 6 |
| a | 11.55 ± 0.0013 Å |
| b | 15.6355 ± 0.0016 Å |
| c | 18.5836 ± 0.0019 Å |
| α | 93.782 ± 0.004° |
| β | 99.353 ± 0.004° |
| γ | 105.965 ± 0.004° |
| Cell volume | 3161.9 ± 0.6 Å3 |
| Cell temperature | 301 ± 2 K |
| Ambient diffraction temperature | 301 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1369 |
| Residual factor for significantly intense reflections | 0.0882 |
| Weighted residual factors for significantly intense reflections | 0.2047 |
| Weighted residual factors for all reflections included in the refinement | 0.2402 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227862 (current) | 2019-11-15 | cif/ hkl/ Adding structures of 2108522, 2108523, 2108524, 2108525, 2108526 via cif-deposit CGI script. |
2108526.cif 2108526.hkl |
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.