Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2019742
Preview
| Coordinates | 2019742.cif |
|---|---|
| Structure factors | 2019742.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>S</i>,<i>S</i>)-(Ethane-1,2-diyl)bis[(2-methylphenyl)phenylphosphane] |
|---|---|
| Formula | C28 H28 P2 |
| Calculated formula | C28 H28 P2 |
| SMILES | P(c1ccccc1C)(c1ccccc1)CCP(c1ccccc1C)c1ccccc1 |
| Title of publication | An enantiomerically pure P-stereogenic bisphosphine: (<i>S</i>,<i>S</i>)-ethylenebis[(2-methylphenyl)phenylphosphine] (<i>o</i>-tolyl-DiPAMP) |
| Authors of publication | Bendzińska-Berus, Wioletta; Kaik-King, Magdalena; King, Gary; Rychlewska, Urszula |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 12 |
| Pages of publication | 1174 - 1177 |
| a | 5.9725 ± 0.0001 Å |
| b | 17.0935 ± 0.0002 Å |
| c | 22.8179 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2329.5 ± 0.06 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 3 |
| 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 | 0.0344 |
| Residual factor for significantly intense reflections | 0.0337 |
| Weighted residual factors for significantly intense reflections | 0.0902 |
| Weighted residual factors for all reflections included in the refinement | 0.0909 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181867 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/97. |
2019742.cif 2019742.hkl |
| 180865 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/97. |
2019742.cif 2019742.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019742.cif 2019742.hkl |
| 127941 | 2014-11-28 | cif/ hkl/ Adding structures of 2019742 via cif-deposit CGI script. |
2019742.cif 2019742.hkl |
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.