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Information card for entry 1507412
Preview
| Coordinates | 1507412.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H70 N4 O2 Ti |
|---|---|
| Calculated formula | C52 H70 N4 O2 Ti0.5 |
| Title of publication | Anti-Markovnikov intermolecular hydroamination: a bis(amidate) titanium precatalyst for the preparation of reactive aldimines. |
| Authors of publication | Zhang, Zhe; Schafer, Laurel L. |
| Journal of publication | Organic letters |
| Year of publication | 2003 |
| Journal volume | 5 |
| Journal issue | 24 |
| Pages of publication | 4733 - 4736 |
| a | 25.73 ± 0.002 Å |
| b | 10.4622 ± 0.0007 Å |
| c | 18.785 ± 0.002 Å |
| α | 90° |
| β | 103.683 ± 0.004° |
| γ | 90° |
| Cell volume | 4913.3 ± 0.7 Å3 |
| Cell temperature | 173.2 K |
| Ambient diffraction temperature | 173.2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0793 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for all reflections | 0.1264 |
| Weighted residual factors for significantly intense reflections | 0.052 |
| Goodness-of-fit parameter for all reflections | 0.967 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.967 |
| Diffraction radiation wavelength | 0.7107 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. |
1507412.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 {}' |
1507412.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507412.cif |
| 53902 | 2012-04-20 | cif/ Adding structures of 1507412 via cif-deposit CGI script. |
1507412.cif |
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