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Information card for entry 1507250
Preview
| Coordinates | 1507250.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H17 N O5 |
|---|---|
| Calculated formula | C17 H17 N O5 |
| SMILES | Oc1ccccc1c1noc2c1C(=O)[C@@H]([C@H](C2)C)C(=O)OCC.Oc1ccccc1c1noc2c1C(=O)[C@H]([C@@H](C2)C)C(=O)OCC |
| Title of publication | Facile construction and divergent transformation of polycyclic isoxazoles: direct access to polyketide architectures. |
| Authors of publication | Bode, Jeffrey W.; Hachisu, Yoshifumi; Matsuura, Tomoo; Suzuki, Keisuke |
| Journal of publication | Organic letters |
| Year of publication | 2003 |
| Journal volume | 5 |
| Journal issue | 4 |
| Pages of publication | 391 - 394 |
| a | 11.7495 ± 0.0016 Å |
| b | 15.552 ± 0.003 Å |
| c | 8.5599 ± 0.0011 Å |
| α | 90° |
| β | 104.998 ± 0.006° |
| γ | 90° |
| Cell volume | 1510.9 ± 0.4 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0461 |
| Residual factor for significantly intense reflections | 0.0451 |
| Weighted residual factors for significantly intense reflections | 0.1132 |
| Weighted residual factors for all reflections included in the refinement | 0.1145 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| 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. |
1507250.cif |
| 131991 | 2015-02-18 | cif/1/ (antanas@koala.ibt.lt) Removing extra trailing '�%' repetitions from 38 CIFs in 1/50/. |
1507250.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 {}' |
1507250.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507250.cif |
| 53770 | 2012-04-20 | cif/ Adding structures of 1507250 via cif-deposit CGI script. |
1507250.cif |
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Users of the data should acknowledge the original authors of the
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