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Information card for entry 7015370
Preview
| Coordinates | 7015370.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C14 H13 N3 S |
|---|---|
| Calculated formula | C14 H13 N3 S |
| SMILES | S=C1N(c2cccc3c2cccc3)C(N=N1)(C)C |
| Title of publication | Oxidative cyclization of thiosemicarbazone: an optical and turn-on fluorescent chemodosimeter for Cu(II). |
| Authors of publication | Basu, Arghya; Das, Gopal |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 12 |
| Pages of publication | 2837 - 2843 |
| a | 7.2254 ± 0.0003 Å |
| b | 8.4194 ± 0.0004 Å |
| c | 21.4719 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1306.21 ± 0.1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0557 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0986 |
| Weighted residual factors for all reflections included in the refinement | 0.1053 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7015370.cif |
| 202017 | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7015370.cif |
| 179857 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/53. |
7015370.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015370.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015370.cif |
| 21138 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7015370, 7015371, 7015372, 7015373 via cif-deposit CGI script. |
7015370.cif |
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Users of the data should acknowledge the original authors of the
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