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Information card for entry 4337843
Preview
| Coordinates | 4337843.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C37 H40 N8 O7 |
|---|---|
| Calculated formula | C37 H40 N8 O7 |
| Title of publication | A 3-Fold-Symmetric Ligand Based on 2-Hydroxypyridine: Regulation of Ligand Binding by Hydrogen Bonding. |
| Authors of publication | Moore, Cameron M.; Quist, David A.; Kampf, Jeff W.; Szymczak, Nathaniel K. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 7 |
| Pages of publication | 3278 |
| a | 8.884 ± 0.0002 Å |
| b | 8.9889 ± 0.0002 Å |
| c | 11.4219 ± 0.0008 Å |
| α | 90.267 ± 0.006° |
| β | 104.955 ± 0.007° |
| γ | 101.462 ± 0.007° |
| Cell volume | 862.15 ± 0.08 Å3 |
| Cell temperature | 85 K |
| Ambient diffraction temperature | 85 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0527 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for significantly intense reflections | 0.1272 |
| Weighted residual factors for all reflections included in the refinement | 0.1276 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.181 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4337843.cif |
| 179481 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/78. |
4337843.cif |
| 110325 | 2014-04-18 | cod/cif/ (saulius@koala.ibt.lt) Appending periods (".") to author initials in the recently added bibliographies (using 'cif_reformat_pubmed_author_names'). |
4337843.cif |
| 109903 | 2014-04-17 | cif/ Updating files of 4337842, 4337843, 4337844 Original log message: Adding full bibliography for 4337842--4337844.cif. |
4337843.cif |
| 108446 | 2014-04-02 | cif/ Adding structures of 4337843 via cif-deposit CGI script. |
4337843.cif |
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Users of the data should acknowledge the original authors of the
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