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Information card for entry 2228342
Preview
| Coordinates | 2228342.cif |
|---|---|
| Structure factors | 2228342.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>p</i>-Tolylmethanaminium cyclohexane-1,2-diyl phosphate |
|---|---|
| Formula | C14 H22 N O4 P |
| Calculated formula | C14 H22 N O4 P |
| Title of publication | <i>p</i>-Tolylmethanaminium cyclohexane-1,2-diyl phosphate |
| Authors of publication | Gowda, Ravikumar R.; Ramkumar, Venkatachalam; Chakraborty, Debashis |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | o3049 |
| a | 5.9642 ± 0.0006 Å |
| b | 9.6077 ± 0.001 Å |
| c | 13.707 ± 0.0015 Å |
| α | 78.326 ± 0.006° |
| β | 82.549 ± 0.007° |
| γ | 84.9 ± 0.006° |
| Cell volume | 761.11 ± 0.14 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.1576 |
| Residual factor for significantly intense reflections | 0.0684 |
| Weighted residual factors for significantly intense reflections | 0.1411 |
| Weighted residual factors for all reflections included in the refinement | 0.1771 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181204 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/83. |
2228342.cif 2228342.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228342.cif 2228342.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228342.cif 2228342.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. | 2228342.cif 2228342.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228342.cif 2228342.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228342.cif 2228342.hkl |
| 5778 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228342, 2228343, 2228344, 2228345, 2228346, 2228347, 2228348, 2228349, 2228350, 2228351 via cif-deposit CGI script. |
2228342.cif |
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Users of the data should acknowledge the original authors of the
structural data.