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Information card for entry 2228210
Preview
| Coordinates | 2228210.cif |
|---|---|
| Structure factors | 2228210.hkl |
| Original IUCr paper | HTML |
| Common name | (<i>R</i>)-[1-(2-Chlorophenyl)-2-methoxy-2-oxoethyl][2-(thiophen-2- yl)ethyl]ammonium (+)-[7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]methanesulfonate acetone monosolvate |
|---|---|
| Chemical name | (<i>R</i>)-[1-(2-Chlorophenyl)-2-methoxy-2-oxoethyl][2-(thiophen-2- yl)ethyl]ammonium (+)-camphor-10-sulfonate acetone monosolvate |
| Formula | C28 H38 Cl N O7 S2 |
| Calculated formula | C28 H38 Cl N O7 S2 |
| Title of publication | (<i>R</i>)-[1-(2-Chlorophenyl)-2-methoxy-2-oxoethyl][2-(thiophen-2-yl)ethyl]ammonium (+)-camphor-10-sulfonate acetone monosolvate |
| Authors of publication | Liang, Yan-Shu; Mu, Shuai; Liu, Ying; Liu, Deng-Ke |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | o3117 |
| a | 12.101 ± 0.003 Å |
| b | 14.209 ± 0.004 Å |
| c | 18.325 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3150.9 ± 1.5 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0852 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.0803 |
| Weighted residual factors for all reflections included in the refinement | 0.0957 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181203 (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 2/22/82. |
2228210.cif 2228210.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. |
2228210.cif 2228210.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228210.cif 2228210.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. | 2228210.cif 2228210.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228210.cif 2228210.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228210.cif 2228210.hkl |
| 5763 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228202, 2228203, 2228204, 2228205, 2228206, 2228207, 2228208, 2228209, 2228210, 2228211 via cif-deposit CGI script. |
2228210.cif |
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