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Information card for entry 4071976
Preview
| Coordinates | 4071976.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H0 Br2 F6 N2 P Pd Sb |
|---|---|
| Calculated formula | C43 H40 Br2 F6 N2 P Pd Sb |
| Title of publication | Nitrogen-Based Chirality Effects in Novel Mixed Phosphorus/Nitrogen Ligands Applied to Palladium-Catalyzed Allylic Substitutions |
| Authors of publication | Schnitzler, Verena; Nonglaton, Guillaume; Roussière, Hélène; Maillet, Céline; Evain, Michel; Janvier, Pascal; Bujoli, Bruno; Petit, Marc |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 22 |
| Pages of publication | 5997 |
| a | 10.3604 ± 0.0009 Å |
| b | 19.119 ± 0.0006 Å |
| c | 22.51 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4458.8 ± 0.6 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 8 |
| 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 | 0.0867 |
| Residual factor for significantly intense reflections | 0.0608 |
| Weighted residual factors for significantly intense reflections | 0.0666 |
| Weighted residual factors for all reflections included in the refinement | 0.0682 |
| Goodness-of-fit parameter for significantly intense reflections | 1.92 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.79 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4071976.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071976.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071976.cif |
| 44156 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071976 via cif-deposit CGI script. |
4071976.cif |
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Users of the data should acknowledge the original authors of the
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