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Information card for entry 7218506
Preview
| Coordinates | 7218506.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H16 N3 O4 S |
|---|---|
| Calculated formula | C15 H16 N3 O4 S |
| Title of publication | A series of ditopic receptors for succinic acid binding |
| Authors of publication | Dey, Swapan; Sain, Dibyendu; Kumar, Ashish; Kumari, Chanda |
| Journal of publication | RSC Adv. |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 93 |
| Pages of publication | 51486 |
| a | 8.085 ± 0.003 Å |
| b | 9.738 ± 0.003 Å |
| c | 10.671 ± 0.004 Å |
| α | 78.516 ± 0.009° |
| β | 83.189 ± 0.009° |
| γ | 68.866 ± 0.009° |
| Cell volume | 766.9 ± 0.5 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 | 0.0665 |
| Residual factor for significantly intense reflections | 0.0537 |
| Weighted residual factors for significantly intense reflections | 0.155 |
| Weighted residual factors for all reflections included in the refinement | 0.1646 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7218506.cif |
| 180516 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/85. |
7218506.cif |
| 125449 | 2014-10-16 | cif/ Adding structures of 7218506 via cif-deposit CGI script. |
7218506.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.