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Information card for entry 4071975
Preview
| Coordinates | 4071975.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H27 Br2 Cl2 N2 P Pd |
|---|---|
| Calculated formula | C28 H27 Br2 Cl2 N2 P Pd |
| 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 | 8.0388 Å |
| b | 8.1586 Å |
| c | 12.571 Å |
| α | 91.974° |
| β | 108.419° |
| γ | 109.78° |
| Cell volume | 726.797 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 7 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0483 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.0923 |
| Weighted residual factors for all reflections included in the refinement | 0.0986 |
| Goodness-of-fit parameter for significantly intense reflections | 1.45 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.49 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4071975.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071975.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071975.cif |
| 44155 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071975 via cif-deposit CGI script. |
4071975.cif |
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Users of the data should acknowledge the original authors of the
structural data.