Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2019171
Preview
| Coordinates | 2019171.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Diethyl ((4-chloro-2-methylanilino){4-[2-(trimethylsilyl)ethynyl]phenyl}methyl)phosphonate |
|---|---|
| Formula | C23 H31 Cl N O3 P Si |
| Calculated formula | C23 H31 Cl N O3 P Si |
| Title of publication | Four related diethyl [(arylamino)(4-ethynylphenyl)methyl]phosphonates |
| Authors of publication | Ouahrouch, Abdelaaziz; Krim, Jamal; Taourirte, Moha; Lazrek, Hassan B.; Engels, Joachim W.; Bats, Jan W. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 10 |
| Pages of publication | 1157 - 1163 |
| a | 17.3791 ± 0.0016 Å |
| b | 14.7131 ± 0.0013 Å |
| c | 20.019 ± 0.003 Å |
| α | 90° |
| β | 90.464 ± 0.001° |
| γ | 90° |
| Cell volume | 5118.7 ± 1 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.1453 |
| Residual factor for significantly intense reflections | 0.1011 |
| Weighted residual factors for significantly intense reflections | 0.1648 |
| Weighted residual factors for all reflections included in the refinement | 0.1807 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.202 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301798 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/01 Each referenced PubChem compound corresponds to the full crystal structure. |
2019171.cif |
| 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. |
2019171.cif |
| 89552 | 2013-11-06 | cif/ Adding structures of 2019170, 2019171, 2019172, 2019173 via cif-deposit CGI script. |
2019171.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.