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Information card for entry 7035985
Preview
| Coordinates | 7035985.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H12 N4 |
|---|---|
| Calculated formula | C20 H12 N4 |
| SMILES | n1c2c3c4c(ccc3)ccc3cccc(c2[nH]c1c1ncc[nH]1)c43 |
| Title of publication | An imidazolyl-pyreno-imidazole conjugate as a cyanide sensor and a set-reset memorized sequential logic device. |
| Authors of publication | Mardanya, Sourav; Karmakar, Srikanta; Mondal, Debiprasad; Baitalik, Sujoy |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 36 |
| Pages of publication | 15994 - 16012 |
| a | 20.0572 ± 0.0015 Å |
| b | 15.3589 ± 0.0011 Å |
| c | 9.5549 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2943.4 ± 0.4 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1293 |
| Residual factor for significantly intense reflections | 0.065 |
| Weighted residual factors for significantly intense reflections | 0.1545 |
| Weighted residual factors for all reflections included in the refinement | 0.1907 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.978 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7035985.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. |
7035985.cif |
| 161439 | 2015-10-09 | cif/ Updating files of 7035985 Original log message: Adding full bibliography for 7035985.cif. |
7035985.cif |
| 152631 | 2015-07-30 | cif/ Adding structures of 7035985 via cif-deposit CGI script. |
7035985.cif |
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Users of the data should acknowledge the original authors of the
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