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Information card for entry 4508114
Preview
| Coordinates | 4508114.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H26 N2 O6 |
|---|---|
| Calculated formula | C20 H26 N2 O6 |
| Title of publication | β-Amino Acid and Amino-Alcohol Conjugation of a Nonsteroidal Anti-Inflammatory Drug (NSAID) Imparts Hydrogelation Displaying Remarkable Biostability, Biocompatibility, and Anti-Inflammatory Properties. |
| Authors of publication | Majumder, Joydeb; Das, Mahua Rani; Deb, Jolly; Jana, Siddhartha Sankar; Dastidar, Parthasarathi |
| Journal of publication | Langmuir : the ACS journal of surfaces and colloids |
| Year of publication | 2013 |
| Journal volume | 29 |
| Journal issue | 32 |
| Pages of publication | 10254 - 10263 |
| a | 6.564 ± 0.0014 Å |
| b | 8.4072 ± 0.0017 Å |
| c | 18.343 ± 0.004 Å |
| α | 101.06 ± 0.006° |
| β | 94.93 ± 0.006° |
| γ | 98.137 ± 0.006° |
| Cell volume | 976.8 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0525 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.1196 |
| Weighted residual factors for all reflections included in the refinement | 0.1365 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.976 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4508114.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4508114.cif |
| 87847 | 2013-08-27 | cif/ Adding structures of 4508114 via cif-deposit CGI script. |
4508114.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.