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Information card for entry 2006806
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Coordinates | 2006806.cif |
---|---|
Original IUCr paper | HTML |
Common name | Famphur |
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Chemical name | O,O-Dimethyl-O-(p-(N,N-dimethylsulfamoyl)phenyl)phosphorothioate |
Formula | C10 H16 N O5 P S2 |
Calculated formula | C10 H16 N O5 P S2 |
SMILES | c1(OP(OC)(OC)=S)ccc(cc1)S(=O)(=O)N(C)C |
Title of publication | Organophosphorus Insecticides. 18. Famphur: <i>O</i>,<i>O</i>-Dimethyl <i>O</i>-[<i>p</i>-(<i>N</i>,<i>N</i>-Dimethylsulfamoyl)phenyl] Phosphorothioate |
Authors of publication | Baughman, Russell G. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1997 |
Journal volume | 53 |
Journal issue | 12 |
Pages of publication | 1928 - 1929 |
a | 12.786 ± 0.002 Å |
b | 10.29 ± 0.002 Å |
c | 13.095 ± 0.002 Å |
α | 90° |
β | 118.7 ± 0.01° |
γ | 90° |
Cell volume | 1511.2 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.068 |
Residual factor for significantly intense reflections | 0.044 |
Weighted residual factors for all reflections | 0.125 |
Weighted residual factors for significantly intense reflections | 0.109 |
Goodness-of-fit parameter for all reflections | 1.052 |
Goodness-of-fit parameter for significantly intense reflections | 1.099 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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