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Information card for entry 4104926
Preview
| Coordinates | 4104926.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (2-dicyclohexylphosphino)-2'-(N,N-dimethylamino)-1,1'-biphenyl) |
|---|---|
| Formula | C26 H36 N P |
| Calculated formula | C26 H36 N P |
| SMILES | P(c1c(cccc1)c1c(N(C)C)cccc1)(C1CCCCC1)C1CCCCC1 |
| Title of publication | Influence of Biaryl Phosphine Structure on C-N and C-C Bond Formation |
| Authors of publication | Ramendra Pratap; Damon Parrish; Padmaja Gunda; D. Venkataraman; Mahesh K. Lakshman |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 12240 - 12249 |
| a | 10.2217 ± 0.0007 Å |
| b | 14.3059 ± 0.001 Å |
| c | 16.3729 ± 0.0011 Å |
| α | 84.928 ± 0.001° |
| β | 85.776 ± 0.001° |
| γ | 73.792 ± 0.001° |
| Cell volume | 2287.1 ± 0.3 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0443 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.095 |
| Weighted residual factors for all reflections included in the refinement | 0.0998 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4104926.cif |
| 178795 | 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 4/10/49. |
4104926.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4104926.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4104926.cif |
| 30039 | 2011-11-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4104926 via cif-deposit CGI script. |
4104926.cif |
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Users of the data should acknowledge the original authors of the
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