Information card for entry 2203154
Chemical name |
(2S,4S,5R)-(-)-2-(4-propoxyphenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine |
Formula |
C20 H25 N O2 |
Calculated formula |
C20 H25 N O2 |
SMILES |
O1[C@H](N(C)[C@@H](C)[C@H]1c1ccccc1)c1ccc(cc1)OCCC |
Title of publication |
C—H···O and C—H···π(arene) interactions in (2<i>S</i>,4<i>S</i>,5<i>R</i>)-(‒)-2-(4-propoxyphenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine |
Authors of publication |
Duffy, Marina; Gallagher, John F.; Lough, Alan J. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2004 |
Journal volume |
60 |
Journal issue |
2 |
Pages of publication |
o234 - o236 |
a |
9.2962 ± 0.0002 Å |
b |
8.2755 ± 0.0002 Å |
c |
11.4267 ± 0.0003 Å |
α |
90° |
β |
91.083 ± 0.0011° |
γ |
90° |
Cell volume |
878.91 ± 0.04 Å3 |
Cell temperature |
150 ± 2 K |
Ambient diffraction temperature |
150 ± 1 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 |
0.035 |
Residual factor for significantly intense reflections |
0.031 |
Weighted residual factors for significantly intense reflections |
0.076 |
Weighted residual factors for all reflections included in the refinement |
0.079 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.041 |
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/2203154.html