Information card for entry 2221395
Chemical name |
(4<i>S</i>,5<i>S</i>)-2-(2-Bromophenyl)-1,3-dioxolane-4,5-dicarboxamide |
Formula |
C11 H11 Br N2 O4 |
Calculated formula |
C11 H11 Br N2 O4 |
SMILES |
Brc1ccccc1C1O[C@@H]([C@H](O1)C(=O)N)C(=O)N |
Title of publication |
(4<i>S</i>,5<i>S</i>)-2-(2-Bromophenyl)-1,3-dioxolane-4,5-dicarboxamide |
Authors of publication |
Liu, Hua-quan; Wang, De-Cai; Xu, Wei; Yang, Zheng; Gai, Tao |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
4 |
Pages of publication |
o841 |
a |
9.415 ± 0.0019 Å |
b |
14.458 ± 0.003 Å |
c |
9.617 ± 0.0019 Å |
α |
90° |
β |
111.14 ± 0.03° |
γ |
90° |
Cell volume |
1221 ± 0.5 Å3 |
Cell temperature |
294 ± 2 K |
Ambient diffraction temperature |
294 ± 2 K |
Number of distinct elements |
5 |
Space group number |
4 |
Hermann-Mauguin space group symbol |
P 1 21 1 |
Hall space group symbol |
P 2yb |
Residual factor for all reflections |
0.1042 |
Residual factor for significantly intense reflections |
0.063 |
Weighted residual factors for significantly intense reflections |
0.1558 |
Weighted residual factors for all reflections included in the refinement |
0.1806 |
Goodness-of-fit parameter for all reflections included in the refinement |
1 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2221395.html