Information card for entry 2233447
Chemical name |
<i>N</i>,<i>N</i>'-Dibenzyl-<i>N</i>''-(2,4-difluorobenzoyl)- <i>N</i>,<i>N</i>'-dimethylphosphoric triamide |
Formula |
C23 H24 F2 N3 O2 P |
Calculated formula |
C23 H24 F2 N3 O2 P |
SMILES |
P(=O)(NC(=O)c1ccc(F)cc1F)(N(Cc1ccccc1)C)N(Cc1ccccc1)C |
Title of publication |
<i>N</i>,<i>N</i>'-Dibenzyl-<i>N</i>''-(2,4-difluorobenzoyl)-<i>N</i>,<i>N</i>'-dimethylphosphoric triamide |
Authors of publication |
Pourayoubi, Mehrdad; Shoghpour, Samad; Torre-Fernández, Laura; García-Granda, Santiago |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
2 |
Pages of publication |
o270 - o271 |
a |
10.3619 ± 0.0006 Å |
b |
10.7721 ± 0.001 Å |
c |
11.6433 ± 0.0008 Å |
α |
70.523 ± 0.007° |
β |
72.495 ± 0.005° |
γ |
70.197 ± 0.007° |
Cell volume |
1126.65 ± 0.16 Å3 |
Cell temperature |
300 ± 2 K |
Ambient diffraction temperature |
300 ± 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 |
0.0834 |
Residual factor for significantly intense reflections |
0.0505 |
Weighted residual factors for significantly intense reflections |
0.1206 |
Weighted residual factors for all reflections included in the refinement |
0.1405 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.006 |
Diffraction radiation wavelength |
1.54184 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2233447.html