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Information card for entry 4339006
Preview
| Coordinates | 4339006.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H26 N4 O4 S2 |
|---|---|
| Calculated formula | C34 H26 N4 O4 S2 |
| SMILES | S(=O)(=O)(Nc1cc2nc3c4ccccc4c4ccccc4c3nc2cc1NS(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)C |
| Title of publication | Synthesis, photophysical, and anion-sensing properties of quinoxalinebis(sulfonamide) functionalized receptors and their metal complexes. |
| Authors of publication | Lin, Tzu-Pin; Chen, Chan-Yu; Wen, Yuh-Sheng; Sun, Shih-Sheng |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 22 |
| Pages of publication | 9201 - 9212 |
| a | 10.431 ± 0.0002 Å |
| b | 11.9439 ± 0.0003 Å |
| c | 14.7268 ± 0.0003 Å |
| α | 100.209 ± 0.001° |
| β | 98.885 ± 0.001° |
| γ | 108.095 ± 0.001° |
| Cell volume | 1672.82 ± 0.06 Å3 |
| Cell temperature | 295 ± 0.2 K |
| Ambient diffraction temperature | 295 ± 0.2 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 | 0.0629 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.0957 |
| Weighted residual factors for all reflections included in the refinement | 0.0988 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.938 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4339006.cif |
| 179493 | 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 4/33/90. |
4339006.cif |
| 117064 | 2014-06-14 | cif/ Adding structures of 4339006 via cif-deposit CGI script. |
4339006.cif |
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Users of the data should acknowledge the original authors of the
structural data.