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Information card for entry 1506544
Preview
| Coordinates | 1506544.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Chemical name | (S(S),S) N-(1-dimethylphenylsilylphenylmethylene)-t-butanesulfinamide |
|---|---|
| Formula | C19 H27 N O S Si |
| Calculated formula | C19 H27 N O S Si |
| SMILES | S(=O)(N[C@@H]([Si](c1ccccc1)(C)C)c1ccccc1)C(C)(C)C |
| Title of publication | Stereoselective synthesis of alpha-silylamines by the direct addition of silyl anions to activated imines. |
| Authors of publication | Ballweg, David M.; Miller, Rebecca C.; Gray, Danielle L.; Scheidt, Karl A. |
| Journal of publication | Organic letters |
| Year of publication | 2005 |
| Journal volume | 7 |
| Journal issue | 7 |
| Pages of publication | 1403 - 1406 |
| a | 6.4269 ± 0.0008 Å |
| b | 16.553 ± 0.002 Å |
| c | 18.276 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1944.3 ± 0.4 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 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 | 0.1208 |
| Residual factor for significantly intense reflections | 0.062 |
| Weighted residual factors for significantly intense reflections | 0.1144 |
| Weighted residual factors for all reflections included in the refinement | 0.1353 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.966 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1506544.cif |
| 201954 | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1506544.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1506544.cif |
| 171452 | 2015-12-11 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 1. |
1506544.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 {}' |
1506544.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506544.cif |
| 50392 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 1506543, 1506544, 1506545 via cif-deposit CGI script. |
1506544.cif |
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Users of the data should acknowledge the original authors of the
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