Information card for entry 2222203
Chemical name |
(3<i>R</i>,4<i>R</i>)-2,5-Dioxo-1-<i>m</i>-tolyl-3,4-diyl diacetate |
Formula |
C15 H15 N O6 |
Calculated formula |
C15 H15 N O6 |
SMILES |
N1(c2cccc(c2)C)C(=O)[C@H](OC(=O)C)[C@@H](OC(=O)C)C1=O |
Title of publication |
(3<i>R</i>,4<i>R</i>)-2,5-Dioxo-1-<i>m</i>-tolyl-3,4-diyl diacetate |
Authors of publication |
Naz, Sara; Zaidi, Javid; Mehmood, Tahir; Jones, Peter G. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
7 |
Pages of publication |
o1487 |
a |
8.2382 ± 0.0004 Å |
b |
5.538 ± 0.0003 Å |
c |
16.6015 ± 0.0009 Å |
α |
90° |
β |
103.664 ± 0.005° |
γ |
90° |
Cell volume |
735.98 ± 0.07 Å3 |
Cell temperature |
100 ± 2 K |
Ambient diffraction temperature |
100 ± 2 K |
Number of distinct elements |
4 |
Space group number |
4 |
Hermann-Mauguin space group symbol |
P 1 21 1 |
Hall space group symbol |
P 2yb |
Residual factor for all reflections |
0.0263 |
Residual factor for significantly intense reflections |
0.0259 |
Weighted residual factors for significantly intense reflections |
0.0669 |
Weighted residual factors for all reflections included in the refinement |
0.0672 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.044 |
Diffraction radiation wavelength |
1.54184 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2222203.html