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Information card for entry 1504659
Preview
| Coordinates | 1504659.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H29 Br O2 |
|---|---|
| Calculated formula | C24 H29 Br O2 |
| SMILES | Brc1cc2CC[C@H]3[C@](CC[C@@H]([C@H](c4ccccc4)O)[C@]3(C)CO)(C)c2cc1.Brc1cc2CC[C@@H]3[C@@](CC[C@H]([C@@H](c4ccccc4)O)[C@@]3(C)CO)(C)c2cc1 |
| Title of publication | Asymmetric total synthesis of antiochic acid. |
| Authors of publication | Zhao, Yu-Jun; Loh, Teck-Peng |
| Journal of publication | Organic letters |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 11 |
| Pages of publication | 2143 - 2145 |
| a | 7.5983 ± 0.0003 Å |
| b | 28.0276 ± 0.0011 Å |
| c | 10.0175 ± 0.0004 Å |
| α | 90° |
| β | 101.14 ± 0.002° |
| γ | 90° |
| Cell volume | 2093.15 ± 0.14 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 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 | 0.0823 |
| Residual factor for significantly intense reflections | 0.054 |
| Weighted residual factors for significantly intense reflections | 0.1596 |
| Weighted residual factors for all reflections included in the refinement | 0.174 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| 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. |
1504659.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 {}' |
1504659.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1504659.cif |
| 42264 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504659 via cif-deposit CGI script. |
1504659.cif |
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