Information card for entry 2233132
Chemical name |
(4<i>R</i>)-4-Benzyl-3-{(4<i>S</i>)-4-chloro-4-[(<i>S</i>)-2,2- dimethyl-1,3-dioxolan-4-yl]butanoyl}-1,3-oxazolidin-2-one |
Formula |
C19 H24 Cl N O5 |
Calculated formula |
C19 H24 Cl N O5 |
SMILES |
c1(ccccc1)C[C@@H]1COC(=O)N1C(=O)CC[C@@H]([C@@H]1COC(C)(C)O1)Cl |
Title of publication |
(4<i>R</i>)-4-Benzyl-3-{(4<i>S</i>)-4-chloro-4-[(<i>S</i>)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoyl}-1,3-oxazolidin-2-one |
Authors of publication |
Börding, Sandra; Strohmann, Carsten; Preut, Hans; Hiersemann, Martin |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
1 |
Pages of publication |
o169 |
a |
11.7552 ± 0.0009 Å |
b |
5.9139 ± 0.0004 Å |
c |
13.8789 ± 0.0011 Å |
α |
90° |
β |
109.023 ± 0.009° |
γ |
90° |
Cell volume |
912.16 ± 0.13 Å3 |
Cell temperature |
173 ± 2 K |
Ambient diffraction temperature |
173 ± 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 |
0.0653 |
Residual factor for significantly intense reflections |
0.039 |
Weighted residual factors for significantly intense reflections |
0.0447 |
Weighted residual factors for all reflections included in the refinement |
0.0469 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.984 |
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/2233132.html