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Information card for entry 1504816
Preview
| Coordinates | 1504816.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | o-nitrobenzenediazonium tosylate (9a) |
|---|---|
| Formula | C13 H11 N3 O5 S |
| Calculated formula | C13 H11 N3 O5 S |
| SMILES | S(=O)(=O)([O-])c1ccc(C)cc1.O=N(=O)c1c([N+]#N)cccc1 |
| 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 | 7.509 ± 0.0015 Å |
| b | 7.546 ± 0.0015 Å |
| c | 13.672 ± 0.003 Å |
| α | 78.64 ± 0.03° |
| β | 75.67 ± 0.03° |
| γ | 75.6 ± 0.03° |
| Cell volume | 719.4 ± 0.3 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 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 | 0.0398 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.122 |
| Weighted residual factors for all reflections included in the refinement | 0.1231 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.8 Å |
| Diffraction radiation type | synchrotronradiation |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 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. |
1504816.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1504816.cif |
| 42388 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504814, 1504815, 1504816 via cif-deposit CGI script. |
1504816.cif |
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Users of the data should acknowledge the original authors of the
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