Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8102171
Preview
Coordinates | 8102171.cif |
---|---|
External links | ChemSpider |
Chemical name | N,N'-dimethylphosphoramidochloridic acid 4-methyl phenyl ester |
---|---|
Formula | C9 H13 Cl N O2 P |
Calculated formula | C9 H13 Cl N O2 P |
SMILES | ClP(=O)(Oc1ccc(cc1)C)N(C)C |
Title of publication | Crystal structure of N,N-dimethylphosphoramidochloridic acid 4-methylphenyl ester, ClP(O)[N(CH~3~)~2~][OC~6~H~4~(CH~3~)] |
Authors of publication | Ghadimi, Saied; Valmoozi, Ali A. E.; Pourayoubi, Mehrdad |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2007 |
Journal volume | 222 |
Journal issue | 3 |
Pages of publication | 339 - 340 |
a | 6.0555 ± 0.0012 Å |
b | 6.8582 ± 0.0014 Å |
c | 14.37 ± 0.003 Å |
α | 98.111 ± 0.005° |
β | 97.798 ± 0.005° |
γ | 105.44 ± 0.005° |
Cell volume | 560 ± 0.2 Å3 |
Cell temperature | 100 ± 0.2 K |
Ambient diffraction temperature | 100 ± 0.2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0374 |
Residual factor for significantly intense reflections | 0.0315 |
Weighted residual factors for significantly intense reflections | 0.0776 |
Weighted residual factors for all reflections included in the refinement | 0.082 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/8102171.html
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.