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Information card for entry 7151731
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| Coordinates | 7151731.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (1S,2S,3S,4S)-1-(2?,2?,2?-trichloromethylcarbonylamino)-2,3,4- trihydroxycyclohexane ? |
|---|---|
| Formula | C8 H12 Cl3 N O4 |
| Calculated formula | C8 H12 Cl3 N O4 |
| Title of publication | Stereoselective synthesis of polyhydroxylated aminocyclohexanes. |
| Authors of publication | Ahmad, Sajjad; Thomas, Lynne H.; Sutherland, Andrew |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 8 |
| Pages of publication | 2801 - 2808 |
| a | 39.705 ± 0.002 Å |
| b | 5.8312 ± 0.0003 Å |
| c | 20.2162 ± 0.0014 Å |
| α | 90° |
| β | 91.296 ± 0.002° |
| γ | 90° |
| Cell volume | 4679.4 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.1714 |
| Residual factor for significantly intense reflections | 0.0752 |
| Weighted residual factors for all reflections included in the refinement | 0.1434 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193998 (current) | 2017-03-06 | cif/ (antanas@echidna.ibt.lt) Removing the '_symmetry_space_group_name' data item in entries 4510731, 7114413, 7151731 since it was not found in the core CIF dictionary and the same information was already provided in the official space group data items. No information was lost by removing this data item. |
7151731.cif |
| 180303 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/17. |
7151731.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151731.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151731.cif |
| 21245 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7151730, 7151731 via cif-deposit CGI script. |
7151731.cif |
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