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Information card for entry 1517834
Preview
| Coordinates | 1517834.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H15 N5 O2 |
|---|---|
| Calculated formula | C16 H15 N5 O2 |
| SMILES | O(C(=O)C(=N\Nc1cccc2cccnc12)\c1[nH]ccn1)CC |
| Title of publication | Regulating signal enhancement with coordination-coupled deprotonation of a hydrazone switch |
| Authors of publication | Foy, Justin T.; Ray, Debdas; Aprahamian, Ivan |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 1 |
| Pages of publication | 209 |
| a | 11.641 ± 0.0008 Å |
| b | 8.7512 ± 0.0006 Å |
| c | 14.7356 ± 0.001 Å |
| α | 90° |
| β | 92.598 ± 0.001° |
| γ | 90° |
| Cell volume | 1499.61 ± 0.18 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0544 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.1115 |
| Weighted residual factors for all reflections included in the refinement | 0.1191 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1517834.cif |
| 213925 | 2019-03-01 | cif/ Moved the _audit_creation_method data item out of the loop in entries 1508200, 1516032, 1517834, 1548517, 1548518, 1548519, 1548520, 1548521, 1548522, 2014597, 2216152, 2241692, 4078301, 4081819, 4084531, 4105795, 4331477, 4336091, 4503532, 4503533, 4503534, 4503535, 7004275, 7004276, 7004277, 7004278, 7004279, 7004280, 7015244, 7055771, 7103304, 7115802, 7115804, 7115805, 7115806, 7153370 7212801. |
1517834.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
1517834.cif |
| 130970 | 2015-02-04 | cif/ Updating files of 1517834, 1517835 Original log message: Adding full bibliography for 1517834--1517835.cif. |
1517834.cif |
| 124244 | 2014-09-26 | cif/ Adding structures of 1517834, 1517835 via cif-deposit CGI script. |
1517834.cif |
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Users of the data should acknowledge the original authors of the
structural data.