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Information card for entry 1504575
Preview
| Coordinates | 1504575.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | tf09-115 |
|---|---|
| Chemical name | (E)-Ethyl 1-(2-iodo-1-phenylvinyl)-2-oxocyclopentanecarboxylate |
| Formula | C16 H17 I O3 |
| Calculated formula | C16 H17 I O3 |
| SMILES | [C@@]1(C(=O)CCC1)(C(=O)OCC)/C(=C/I)c1ccccc1 |
| Title of publication | Stereoselective synthesis of trisubstituted E-iodoalkenes by indium-catalyzed syn-addition of 1,3-dicarbonyl compounds to 1-iodoalkynes. |
| Authors of publication | Tsuji, Hayato; Fujimoto, Taisuke; Endo, Kohei; Nakamura, Masaharu; Nakamura, Eiichi |
| Journal of publication | Organic letters |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 6 |
| Pages of publication | 1219 - 1221 |
| a | 7.339 ± 0.004 Å |
| b | 9.993 ± 0.005 Å |
| c | 20.287 ± 0.01 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1487.8 ± 1.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0159 |
| Residual factor for significantly intense reflections | 0.0155 |
| Weighted residual factors for significantly intense reflections | 0.0365 |
| Weighted residual factors for all reflections included in the refinement | 0.0366 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 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. |
1504575.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 {}' |
1504575.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1504575.cif |
| 42188 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504575 via cif-deposit CGI script. |
1504575.cif |
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