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Information card for entry 1507374
Preview
| Coordinates | 1507374.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H N O7 |
|---|---|
| Calculated formula | C23 H36 N O5 |
| Title of publication | Asymmetric total synthesis and stereochemical elucidation of the antitumor agent PM-94128. |
| Authors of publication | Patel, Samir K.; Murat, Karine; Py, Sandrine; Vallée, Yannick |
| Journal of publication | Organic letters |
| Year of publication | 2003 |
| Journal volume | 5 |
| Journal issue | 22 |
| Pages of publication | 4081 - 4084 |
| a | 9.57 ± 0.002 Å |
| b | 10.258 ± 0.003 Å |
| c | 12.102 ± 0.003 Å |
| α | 90° |
| β | 92 ± 0.02° |
| γ | 90° |
| Cell volume | 1187.3 ± 0.5 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0569 |
| Residual factor for significantly intense reflections | 0.0569 |
| Weighted residual factors for all reflections | 0.0873 |
| Weighted residual factors for all reflections included in the refinement | 0.0873 |
| Goodness-of-fit parameter for all reflections | 2.35 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.35 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 189961 (current) | 2017-01-06 | cif/1/50/ (antanas@echidna.ibt.lt) Changing the values of _atom_site_label and _atom_site_aniso_label data items to match the ones in related data items (e. g. _geom_angle_atom_site_label_*) in entry 1507374. |
1507374.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1507374.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 {}' |
1507374.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507374.cif |
| 53868 | 2012-04-20 | cif/ Adding structures of 1507374 via cif-deposit CGI script. |
1507374.cif |
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