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Information card for entry 7203930
Preview
| Coordinates | 7203930.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (2S*,9S*)-2-Benzenesulfonyl-12-(toluene-4-sulfonyl)-12-aza- bicyclo[7.2.1]dodeca-1(11)-ene |
|---|---|
| Formula | ? |
| Calculated formula | C24 H29 N O4 S2 |
| Title of publication | Formation of medium-size bridged ring systems via ring-closing metathesis of 2,5-disubstituted-2,3-dihydro-1H-pyrroles |
| Authors of publication | Bamford, Samantha J.; Goubitz, Kees; van Lingen, Hester L.; Luker, Tim; Schenk, Henk; Hiemstra, Henk |
| Journal of publication | Journal of the Chemical Society, Perkin Transactions 1 |
| Year of publication | 2000 |
| Journal issue | 3 |
| Pages of publication | 345 |
| a | 8.2243 ± 0.0005 Å |
| b | 10.4546 ± 0.0008 Å |
| c | 14.535 ± 0.003 Å |
| α | 80.443 ± 0.007° |
| β | 84.476 ± 0.008° |
| γ | 70.578 ± 0.005° |
| Cell volume | 1161.1 ± 0.3 Å3 |
| Cell temperature | 253 K |
| Ambient diffraction temperature | 253 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.086 |
| Residual factor for significantly intense reflections | 0.07 |
| Weighted residual factors for all reflections | 0.071 |
| Weighted residual factors for significantly intense reflections | 0.064 |
| Goodness-of-fit parameter for all reflections | 0.921 |
| Goodness-of-fit parameter for significantly intense reflections | 0.937 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | Cu-Kα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7203930.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7203930.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7203930.cif |
| 17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
7203930.cif |
| 3890 | 2010-12-07 | cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/. |
7203930.cif |
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Users of the data should acknowledge the original authors of the
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