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Information card for entry 4107699
Preview
| Coordinates | 4107699.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H24 N2 O3 |
|---|---|
| Calculated formula | C20 H24 N2 O3 |
| SMILES | O[C@@H]1[C@@]23[C@]4(N(c5c3cccc5)C(=O)OC)N(CC2)C/C(=C/C)[C@@H](C4)C1 |
| Title of publication | Total Synthesis of the Strychnos Alkaloid (+)-Minfiensine: Tandem Enantioselective Intramolecular Heck-Iminium Ion Cyclization |
| Authors of publication | Amy B. Dounay; Philip G. Humphreys; Larry E. Overman; Aaron D. Wrobleski |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2008 |
| Journal volume | 130 |
| Pages of publication | 5368 - 5377 |
| a | 7.0806 ± 0.0007 Å |
| b | 12.8663 ± 0.0013 Å |
| c | 18.7817 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1711 ± 0.3 Å3 |
| Cell temperature | 163 ± 2 K |
| Ambient diffraction temperature | 163 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0336 |
| Residual factor for significantly intense reflections | 0.0313 |
| Weighted residual factors for significantly intense reflections | 0.0815 |
| Weighted residual factors for all reflections included in the refinement | 0.0839 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178822 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/76. |
4107699.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 {}' |
4107699.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4107699.cif |
| 55848 | 2012-05-07 | cif/ Adding structures of 4107699 via cif-deposit CGI script. |
4107699.cif |
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Users of the data should acknowledge the original authors of the
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