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Information card for entry 1504875
Preview
| Coordinates | 1504875.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C15 H22 O3 |
|---|---|
| Calculated formula | C15 H22 O3 |
| SMILES | O[C@@H]1CC[C@@]23[C@H]4OC(O[C@H]4[C@@H](C=C2)C[C@H]3C1)(C)C |
| Title of publication | A formal total synthesis of platencin. |
| Authors of publication | Austin, Kerrie A. B.; Banwell, Martin G.; Willis, Anthony C. |
| Journal of publication | Organic letters |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 20 |
| Pages of publication | 4465 - 4468 |
| a | 20.1825 ± 0.0006 Å |
| b | 8.7994 ± 0.0002 Å |
| c | 7.8934 ± 0.0002 Å |
| α | 90° |
| β | 104.758 ± 0.0016° |
| γ | 90° |
| Cell volume | 1355.57 ± 0.06 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 3 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0319 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for all reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0355 |
| Weighted residual factors for all reflections included in the refinement | 0.0355 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1272 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1504875.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. |
1504875.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 {}' |
1504875.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1504875.cif |
| 42426 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504872, 1504873, 1504874, 1504875, 1504876 via cif-deposit CGI script. |
1504875.cif |
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Users of the data should acknowledge the original authors of the
structural data.