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Information card for entry 2231751
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| Coordinates | 2231751.cif |
|---|---|
| Structure factors | 2231751.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-[(<i>E</i>)-1-(4-methylphenyl)-3-(pyrrolidin-1-ium- 1-yl)prop-1-enyl]pyridinium bis(2,4,6-trinitrophenolate) |
|---|---|
| Formula | C31 H28 N8 O14 |
| Calculated formula | C31 H28 N8 O14 |
| Title of publication | Triprolidinium dipicrate |
| Authors of publication | Dayananda, A. S.; Jasinski, Jerry P.; Golen, James A.; Yathirajan, H. S.; Raju, C. R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 9 |
| Pages of publication | o2502 |
| a | 15.0542 ± 0.0007 Å |
| b | 12.7489 ± 0.0005 Å |
| c | 17.1446 ± 0.0007 Å |
| α | 90° |
| β | 100.218 ± 0.004° |
| γ | 90° |
| Cell volume | 3238.3 ± 0.2 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 | 0.0895 |
| Residual factor for significantly intense reflections | 0.0666 |
| Weighted residual factors for significantly intense reflections | 0.1727 |
| Weighted residual factors for all reflections included in the refinement | 0.1918 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181239 (current) | 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 2/23/17. |
2231751.cif 2231751.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. |
2231751.cif 2231751.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231751.cif 2231751.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2231751.cif 2231751.hkl |
| 27934 | 2011-10-07 | hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates. |
2231751.cif 2231751.hkl |
| 27890 | 2011-10-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2231751 via cif-deposit CGI script. |
2231751.cif |
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Users of the data should acknowledge the original authors of the
structural data.