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Information card for entry 1505933
Preview
| Coordinates | 1505933.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C55.5 H53 B Cl3 F4 O6 P2 Rh |
|---|---|
| Calculated formula | C55.5 H53 B Cl3 F4 O6 P2 Rh |
| SMILES | c1ccc(cc1)O[P]1(Oc2cccc3c2C2(c4c(O1)cccc4CC2)CC3)[Rh]123([CH]4=[CH]3CC[CH]1=[CH]2CC4)[P]1(Oc2ccccc2)Oc2cccc3c2C2(c4c(O1)cccc4CC2)CC3.[F-][B](F)(F)F.ClCCl.ClCCl |
| Title of publication | Enantioselective rhodium-catalyzed addition of arylboronic acids to aldehydes using chiral spiro monophosphite ligands. |
| Authors of publication | Duan, Hai-Feng; Xie, Jian-Hua; Shi, Wen-Jian; Zhang, Qi; Zhou, Qi-Lin |
| Journal of publication | Organic letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 7 |
| Pages of publication | 1479 - 1481 |
| a | 15.362 ± 0.002 Å |
| b | 10.6888 ± 0.0014 Å |
| c | 16.338 ± 0.002 Å |
| α | 90° |
| β | 92.15 ± 0.002° |
| γ | 90° |
| Cell volume | 2680.8 ± 0.6 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.088 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.1137 |
| Weighted residual factors for all reflections included in the refinement | 0.132 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176435 (current) | 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. |
1505933.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 {}' |
1505933.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505933.cif |
| 47862 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1505933 via cif-deposit CGI script. |
1505933.cif |
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