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Information card for entry 1506593
Preview
| Coordinates | 1506593.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H26 O4 |
|---|---|
| Calculated formula | C17 H26 O4 |
| SMILES | CC(=C)[C@H]1CC[C@]2([C@@]3(O[C@]3(C)CC[C@@H]2OC(=O)C)[C@H]1O)C.CC(=C)[C@@H]1CC[C@@]2([C@]3(O[C@@]3(C)CC[C@H]2OC(=O)C)[C@@H]1O)C |
| Title of publication | A novel stereocontrolled approach to eudesmanolides: total synthesis of (+/-)-gallicadiol and (+/-)-isogallicadiol. |
| Authors of publication | Li, Wei-Dong Z; Gao, Zhang-Hua |
| Journal of publication | Organic letters |
| Year of publication | 2005 |
| Journal volume | 7 |
| Journal issue | 14 |
| Pages of publication | 2917 - 2920 |
| a | 16.846 ± 0.008 Å |
| b | 18.842 ± 0.008 Å |
| c | 11.732 ± 0.005 Å |
| α | 90° |
| β | 121.761 ± 0.005° |
| γ | 90° |
| Cell volume | 3166 ± 2 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0475 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.0988 |
| Weighted residual factors for all reflections included in the refinement | 0.1048 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194547 (current) | 2017-03-27 | cif/1 Fixing some wrong Z values and formulae |
1506593.cif |
| 176729 | 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. |
1506593.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 {}' |
1506593.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506593.cif |
| 50430 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 1506593 via cif-deposit CGI script. |
1506593.cif |
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