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Information card for entry 1568426
Preview
| Coordinates | 1568426.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H31 O2 P Pd S |
|---|---|
| Calculated formula | C34 H31 O2 P Pd S |
| Title of publication | Mechanistic studies of the palladium-catalyzed S,O-ligand promoted C–H olefination of aromatic compounds |
| Authors of publication | Naksomboon, Kananat; Gómez-Bengoa, Enrique; Mehara, Jaya; Roithová, Jana; Otten, Edwin; Fernández-Ibáñez, M. Ángeles |
| Journal of publication | Chemical Science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 11 |
| Pages of publication | 2943 - 2953 |
| a | 9.7129 ± 0.0004 Å |
| b | 11.885 ± 0.0004 Å |
| c | 24.9669 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2882.12 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0173 |
| Residual factor for significantly intense reflections | 0.0163 |
| Weighted residual factors for significantly intense reflections | 0.0389 |
| Weighted residual factors for all reflections included in the refinement | 0.0392 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282621 (current) | 2023-04-13 | cod/ (saulius@tasmanijos-velnias) Fixing incorrectly parsed author names: codslave 'select file from data where authors like "%|%"' -NB | codid2file | xargs -i sh -c 'DOI=$(awk "/^_journal_paper_doi/ {print \$2}" {}); MRK=$(basename $DOI).mrk; if ! [ -f $MRK ]; then ( set -x; crossref-get-biblio --doi $DOI > $MRK ) fi; head -v $MRK' codslave 'select file from data where authors like "%|%"' -NB | codid2file | xargs -i sh -c 'DOI=$(awk "/^_journal_paper_doi/ {print \$2}" {}); MRK=$(basename $DOI).mrk; set -x; cif_filter --use-all-datablocks --biblio $MRK --fold-title --add-cif-header {} {} | sponge {}' Commands and program versions: saulius@tasmanijos-velnias restore-biblio/ $ type codslave codslave is aliased to `mysql -u cod_reader -h sql.crystallography.net cod -e' saulius@tasmanijos-velnias restore-biblio/ $ type codid2file codid2file is /home/saulius/scripts/codid2file saulius@tasmanijos-velnias restore-biblio/ $ type cif_filter cif_filter is hashed (/usr/bin/cif_filter) saulius@tasmanijos-velnias restore-biblio/ $ cif_filter --version cod-tools version 2.10 |
1568426.cif |
| 282292 | 2023-04-04 | cif/ Updating files of 1568424, 1568425, 1568426, 1568427 Original log message: Adding full bibliography for 1568424--1568427.cif. |
1568426.cif |
| 280958 | 2023-02-20 | cif/ Adding structures of 1568424, 1568425, 1568426, 1568427 via cif-deposit CGI script. |
1568426.cif |
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Users of the data should acknowledge the original authors of the
structural data.