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Information card for entry 1504153
Preview
| Coordinates | 1504153.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H25 Br N4 |
|---|---|
| Calculated formula | C34 H25 Br N4 |
| SMILES | Brc1c([C@@H]([C@H](N=C(c2ccccc2)c2ccccc2)c2ccc(cc2)C#N)C(CC=C)(C#N)C#N)cccc1.Brc1c([C@H]([C@@H](N=C(c2ccccc2)c2ccccc2)c2ccc(cc2)C#N)C(CC=C)(C#N)C#N)cccc1 |
| Title of publication | Tandem C-C bond-forming processes: interception of the pd-catalyzed decarboxylative allylation of allyl diphenylglycinate imines with activated olefins. |
| Authors of publication | Yeagley, Andrew A.; Lowder, Melissa A.; Chruma, Jason J. |
| Journal of publication | Organic letters |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 17 |
| Pages of publication | 4022 - 4025 |
| a | 9.5831 ± 0.0004 Å |
| b | 13.0254 ± 0.0005 Å |
| c | 23.2091 ± 0.0009 Å |
| α | 90° |
| β | 96.634 ± 0.001° |
| γ | 90° |
| Cell volume | 2877.6 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1878 |
| Residual factor for significantly intense reflections | 0.0548 |
| Weighted residual factors for significantly intense reflections | 0.1226 |
| Weighted residual factors for all reflections included in the refinement | 0.1494 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.694 |
| Diffraction radiation wavelength | 0.71073 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. |
1504153.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 {}' |
1504153.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1504153.cif |
| 39417 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1504153 via cif-deposit CGI script. |
1504153.cif |
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Users of the data should acknowledge the original authors of the
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