Information card for entry 2208057
Chemical name |
(3aR,5S,7S,7aS)-5-{[tert-Butyl(dimethyl)silyloxy]methyl}-7-ethoxy-3-methyl- 7,7a-dihydro-3aH-pyrano[4,3-d]isoxazol-4(5H)-one |
Formula |
C16 H29 N O5 Si |
Calculated formula |
C16 H29 N O5 Si |
SMILES |
CCO[C@@H]1[C@@H]2[C@H](C(=O)[C@@H](CO[Si](C)(C)C(C)(C)C)O1)C(=NO2)C |
Title of publication |
(3a<i>R</i>,5<i>R</i>,7<i>S</i>,7a<i>S</i>)-5-[(<i>tert</i>-Butyldimethylsilyloxy)methyl]-7-ethoxy-3-methyl-7,7a-dihydro-3a<i>H</i>-pyrano[4,3-<i>d</i>]isoxazol-4(5<i>H</i>)-one |
Authors of publication |
Cottier, Louis; Srivastava, Rajendra M.; Sinou, Denis; Freitas Filho, Joao R.; Jeanneau, Erwann |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
2 |
Pages of publication |
o540 - o541 |
a |
7.366 ± 0.005 Å |
b |
11.372 ± 0.005 Å |
c |
23.02 ± 0.005 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1928.3 ± 1.6 Å3 |
Cell temperature |
173 ± 2 K |
Ambient diffraction temperature |
173 ± 2 K |
Number of distinct elements |
5 |
Space group number |
19 |
Hermann-Mauguin space group symbol |
P 21 21 21 |
Hall space group symbol |
P 2ac 2ab |
Residual factor for all reflections |
0.0749 |
Residual factor for significantly intense reflections |
0.0463 |
Weighted residual factors for significantly intense reflections |
0.0475 |
Weighted residual factors for all reflections included in the refinement |
0.0475 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.0566 |
Diffraction radiation wavelength |
0.71069 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2208057.html