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Information card for entry 1504814
Preview
| Coordinates | 1504814.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | p-cyanobenzenediazonium tosylate (12a) |
|---|---|
| Formula | C14 H11 N3 O3 S |
| Calculated formula | C14 H11 N3 O3 S |
| SMILES | S(=O)(=O)([O-])c1ccc(C)cc1.[N+](#N)c1ccc(cc1)C#N |
| Title of publication | Unusually stable, versatile, and pure arenediazonium tosylates: their preparation, structures, and synthetic applicability. |
| Authors of publication | Filimonov, Victor D.; Trusova, Marina; Postnikov, Pavel; Krasnokutskaya, Elena A.; Lee, Young Min; Hwang, Ho Yun; Kim, Hyunuk; Chi, Ki-Whan |
| Journal of publication | Organic letters |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 18 |
| Pages of publication | 3961 - 3964 |
| a | 5.845 ± 0.0012 Å |
| b | 8.847 ± 0.0018 Å |
| c | 26.65 ± 0.005 Å |
| α | 90° |
| β | 94.29 ± 0.03° |
| γ | 90° |
| Cell volume | 1374.2 ± 0.5 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0438 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.1242 |
| Weighted residual factors for all reflections included in the refinement | 0.1256 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.8 Å |
| Diffraction radiation type | synchrotronradiation |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1504814.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1504814.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1504814.cif |
| 42388 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504814, 1504815, 1504816 via cif-deposit CGI script. |
1504814.cif |
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