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Information card for entry 4511214
Preview
| Coordinates | 4511214.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H23 N5 O9 |
|---|---|
| Calculated formula | C24 H23 N5 O9 |
| SMILES | [nH+]1ccccc1NC.O=N(=O)c1ccc(O)cc1.[O-]c1ccc(N(=O)=O)cc1.O=N(=O)c1ccc(O)cc1 |
| Title of publication | Unusual Chemical Ratio, Z″ Values, and Polymorphism in Three NewN-Methyl Aminopyridine‒4-Nitrophenol Adducts |
| Authors of publication | Draguta, Sergiu; Yakovenko, Andrey A.; Fonari, Marina S.; Timofeeva, Tatiana V. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 7 |
| Pages of publication | 3423 |
| a | 10.3822 ± 0.0015 Å |
| b | 14.176 ± 0.002 Å |
| c | 17.233 ± 0.002 Å |
| α | 90° |
| β | 101.212 ± 0.003° |
| γ | 90° |
| Cell volume | 2487.9 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0935 |
| Residual factor for significantly intense reflections | 0.0685 |
| Weighted residual factors for significantly intense reflections | 0.2016 |
| Weighted residual factors for all reflections included in the refinement | 0.2149 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.127 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179659 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/12. |
4511214.cif |
| 119046 | 2014-07-05 | cif/ Updating files of 4511210, 4511211, 4511212, 4511213, 4511214, 4511215, 4511216, 4511217 Original log message: Adding full bibliography for 4511210--4511217.cif. |
4511214.cif |
| 114966 | 2014-05-31 | cif/ Adding structures of 4511210, 4511211, 4511212, 4511213, 4511214, 4511215, 4511216, 4511217 via cif-deposit CGI script. |
4511214.cif |
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Users of the data should acknowledge the original authors of the
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