Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1520716
Preview
| Coordinates | 1520716.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H45 N O2 S |
|---|---|
| Calculated formula | C25 H45 N O2 S |
| Title of publication | Effect of residue structure on the thermal and thermoresponsive properties of γ-substituted poly(N-acryloyl-2-pyrrolidones) |
| Authors of publication | Bhat, R.; Patel, H.; Tsai, P.-C.; Sun, X.-L.; Daoud, D.; Lalancette, R. A.; Michniak-Kohn, B.; Pietrangelo, A. |
| Journal of publication | Polym. Chem. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 33 |
| Pages of publication | 5993 |
| a | 37.479 ± 0.002 Å |
| b | 7.292 ± 0.0004 Å |
| c | 9.0925 ± 0.0006 Å |
| α | 90° |
| β | 93.702 ± 0.004° |
| γ | 90° |
| Cell volume | 2479.8 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1254 |
| Residual factor for significantly intense reflections | 0.1182 |
| Weighted residual factors for significantly intense reflections | 0.3133 |
| Weighted residual factors for all reflections included in the refinement | 0.3165 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.162 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301777 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure. |
1520716.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1520716.cif |
| 155250 | 2015-09-08 | cif/ Updating files of 1520716 Original log message: Adding full bibliography for 1520716.cif. |
1520716.cif |
| 139844 | 2015-07-01 | cif/ Adding structures of 1520716 via cif-deposit CGI script. |
1520716.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.