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Information card for entry 2229024
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| Coordinates | 2229024.cif |
|---|---|
| Structure factors | 2229024.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,6-Bis(tosyloxymethyl)pyridine |
|---|---|
| Formula | C21 H21 N O6 S2 |
| Calculated formula | C21 H21 N O6 S2 |
| SMILES | Cc1ccc(cc1)S(=O)(=O)OCc1cccc(n1)COS(=O)(=O)c1ccc(cc1)C |
| Title of publication | 2,6-Bis(tosyloxymethyl)pyridine |
| Authors of publication | Komarsamy, Lynette; Bala, Muhammad D.; Friedrich, Holger B.; Omondi, Bernard |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 2 |
| Pages of publication | o302 |
| a | 21.032 ± 0.003 Å |
| b | 6.2243 ± 0.001 Å |
| c | 15.405 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2016.7 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.071 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.117 |
| Weighted residual factors for all reflections included in the refinement | 0.1371 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.962 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181211 (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 2/22/90. |
2229024.cif 2229024.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. |
2229024.cif 2229024.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229024.cif 2229024.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. | 2229024.cif 2229024.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229024.cif 2229024.hkl |
| 14261 | 2011-03-09 | Adding the Fobs data for the recenty deposited IUCr structrures. | 2229024.cif 2229024.hkl |
| 12042 | 2011-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2229024 via cif-deposit CGI script. |
2229024.cif |
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Users of the data should acknowledge the original authors of the
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