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Information card for entry 4103933
Preview
| Coordinates | 4103933.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H22 O2 |
|---|---|
| Calculated formula | C21 H22 O2 |
| SMILES | [C@@]12([C@@H]3c4ccccc4[C@@H](C[C@@]3(CO2)C)O1)c1cc(cc(c1)C)C.[C@]12([C@H]3c4ccccc4[C@H](C[C@]3(CO2)C)O1)c1cc(cc(c1)C)C |
| Title of publication | Stereocontrolled Synthesis of Complicated Oxacyclic Compounds via Platinum-Catalyzed [4 + 2]-Cycloadditions and Annulations of Enynals with Allylic Alcohols |
| Authors of publication | Yu-Chia Hsu; Chun-Ming Ting; Rai-Shung Liu |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 2090 - 2091 |
| a | 11.3854 ± 0.0012 Å |
| b | 10.5567 ± 0.0012 Å |
| c | 28.68 ± 0.003 Å |
| α | 90° |
| β | 99.251 ± 0.003° |
| γ | 90° |
| Cell volume | 3402.3 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.3033 |
| Residual factor for significantly intense reflections | 0.0771 |
| Weighted residual factors for significantly intense reflections | 0.1922 |
| Weighted residual factors for all reflections included in the refinement | 0.3393 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.915 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178785 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/39. |
4103933.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 {}' |
4103933.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4103933.cif |
| 107507 | 2014-03-19 | cif/4 Fixing wrong Z values and formulae |
4103933.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4103933.cif |
| 28410 | 2011-10-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4103933 via cif-deposit CGI script. |
4103933.cif |
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Users of the data should acknowledge the original authors of the
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