Information card for entry 2004113
Formula |
C25 H23 N O5 S |
Calculated formula |
C25 H23 N O5 S |
SMILES |
S1(=O)(=O)[C@H]([C@@H](N[C@@H]([C@H]1C(=O)OC)c1ccccc1)c1ccccc1)C(=O)c1ccccc1.S1(=O)(=O)[C@@H]([C@H](N[C@H]([C@@H]1C(=O)OC)c1ccccc1)c1ccccc1)C(=O)c1ccccc1 |
Title of publication |
Methyl 6-Benzoyl-3,5-diphenyl-1,4-thiomorpholine-2-carboxylate 1,1-Dioxide |
Authors of publication |
Krishnaiah, M.; Jagadeesh Kumar, N.; Bhaskar Reddy, D.; Muralidhar Reddy, M.; Soriano, M.; Chen, Y.-S.; Narasinga Rao, S. |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
1995 |
Journal volume |
51 |
Journal issue |
11 |
Pages of publication |
2426 - 2428 |
a |
10.989 ± 0.004 Å |
b |
20.086 ± 0.003 Å |
c |
11.058 ± 0.003 Å |
α |
90° |
β |
110.5 ± 0.3° |
γ |
90° |
Cell volume |
2286 ± 5 Å3 |
Cell temperature |
293 K |
Number of distinct elements |
5 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for significantly intense reflections |
0.056 |
Weighted residual factors for significantly intense reflections |
0.073 |
Goodness-of-fit parameter for significantly intense reflections |
1.46 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/2004113.html