Information card for entry 2222358
Chemical name |
<i>N</i>,<i>N</i>'-Dimethyl-<i>N</i>,<i>N</i>'-diphenyl-3-oxapentanediamide |
Formula |
C18 H20 N2 O3 |
Calculated formula |
C18 H20 N2 O3 |
SMILES |
O=C(N(C)c1ccccc1)COCC(=O)N(C)c1ccccc1 |
Title of publication |
<i>N</i>,<i>N</i>'-Dimethyl-<i>N</i>,<i>N</i>'-diphenyl-3-oxapentanediamide |
Authors of publication |
Yin, Shaohong; Cui, Yu; Wu, Guangpu; You, Qi; Sun, Guoxin |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
7 |
Pages of publication |
o1654 |
a |
10.7607 ± 0.0011 Å |
b |
10.7552 ± 0.0012 Å |
c |
14.7054 ± 0.0014 Å |
α |
90° |
β |
102.897 ± 0.001° |
γ |
90° |
Cell volume |
1659 ± 0.3 Å3 |
Cell temperature |
298 ± 2 K |
Ambient diffraction temperature |
298 ± 2 K |
Number of distinct elements |
4 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.1024 |
Residual factor for significantly intense reflections |
0.0487 |
Weighted residual factors for significantly intense reflections |
0.1169 |
Weighted residual factors for all reflections included in the refinement |
0.1593 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.039 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2222358.html