Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4104927
Preview
| Coordinates | 4104927.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Chemical name | (2-dicyclohexylphosphino-4'-(N,N-dimethylamino)-1,1'-biphenyl) |
|---|---|
| Formula | C26 H36 N P |
| Calculated formula | C26 H36 N P |
| SMILES | P(c1c(cccc1)c1ccc(N(C)C)cc1)(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 | 10.278 ± 0.002 Å |
| b | 10.311 ± 0.002 Å |
| c | 12.886 ± 0.003 Å |
| α | 74.533 ± 0.003° |
| β | 78.947 ± 0.004° |
| γ | 62.497 ± 0.003° |
| Cell volume | 1163.7 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0496 |
| Residual factor for significantly intense reflections | 0.0412 |
| Weighted residual factors for significantly intense reflections | 0.1095 |
| Weighted residual factors for all reflections included in the refinement | 0.1153 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4104927.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. |
4104927.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4104927.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4104927.cif |
| 30041 | 2011-11-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4104927 via cif-deposit CGI script. |
4104927.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.