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Information card for entry 7115009
Preview
| Coordinates | 7115009.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (S)-(Methyl-phenyl-amino)-N-((S)-1-phenyl-ethyl)-butyramide |
|---|---|
| Formula | C19 H23 N2 O |
| Calculated formula | C19 H24 N2 O |
| Title of publication | Catalytic enantioselective addition of aromatic amines to enones: synthesis of optically active β-amino acid derivatives |
| Authors of publication | Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker |
| Journal of publication | Chemical Communications |
| Year of publication | 2001 |
| Journal issue | 14 |
| Pages of publication | 1240 |
| a | 10.329 ± 0.001 Å |
| b | 10.329 ± 0.001 Å |
| c | 28.108 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2597 ± 0.5 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 4 |
| Space group number | 170 |
| Hermann-Mauguin space group symbol | P 65 |
| Hall space group symbol | P 65 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for all reflections included in the refinement | 0.052 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.38 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288193 (current) | 2023-12-08 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9828. This change affected only the misspelt variants of the '_exptl_absorpt_process_details' data name. |
7115009.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7115009.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
7115009.cif |
| 118477 | 2014-06-30 | cif/ Adding structures of 7115009 via cif-deposit CGI script. |
7115009.cif |
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