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Information card for entry 2239615
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| Coordinates | 2239615.cif |
|---|---|
| Structure factors | 2239615.hkl |
| Original IUCr paper | HTML |
| Common name | 4-acetylpiperazinium picrate |
|---|---|
| Chemical name | 4-Acetylpiperazin-1-ium 2,4,6-trinitrophenolate |
| Formula | C12 H15 N5 O8 |
| Calculated formula | C12 H15 N5 O8 |
| Title of publication | 4-Acetylpiperazinium picrate |
| Authors of publication | Kavitha, Channappa N.; Kaur, Manpreet; Jasinski, Jerry P.; Yathirajan, Hemmige S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | o717 - o718 |
| a | 6.6843 ± 0.0007 Å |
| b | 11.5971 ± 0.0012 Å |
| c | 20.131 ± 0.002 Å |
| α | 90° |
| β | 90 ± 0.004° |
| γ | 90° |
| Cell volume | 1560.5 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0494 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.1215 |
| Weighted residual factors for all reflections included in the refinement | 0.1257 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181896 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/96. |
2239615.cif 2239615.hkl |
| 181315 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/96. |
2239615.cif 2239615.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239615.cif 2239615.hkl |
| 115032 | 2014-06-02 | cif/ hkl/ Adding structures of 2239615 via cif-deposit CGI script. |
2239615.cif 2239615.hkl |
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Users of the data should acknowledge the original authors of the
structural data.