Information card for entry 7104834
Formula |
C20 H21 N O5 S |
Calculated formula |
C20 H21 N O5 S |
SMILES |
S(=O)(=O)(N[C@@H](C(=O)OCC)[C@H](O)C#Cc1ccccc1)c1ccc(cc1)C |
Title of publication |
A stereoselective synthesis of anti-γ,δ-alkynyl- and -alkenyl-β-hydroxy-α-amino esters from tin(II) enolates of glycinate |
Authors of publication |
Gridley, Jonathan J.; Coogan, Michael P.; Knight, David W.; Malik, K. M. Abdul; Sharland, Christopher M.; Singkhonrat, Jirada; Williams, Siân |
Journal of publication |
Chemical Communications (Cambridge, United Kingdom) |
Year of publication |
2003 |
Journal issue |
20 |
Pages of publication |
2550 - 2551 |
a |
5.49 ± 0.0001 Å |
b |
16.068 ± 0.0005 Å |
c |
21.878 ± 0.0009 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1929.93 ± 0.11 Å3 |
Cell temperature |
150 ± 2 K |
Ambient diffraction temperature |
150 ± 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 |
0.0905 |
Residual factor for significantly intense reflections |
0.0616 |
Weighted residual factors for significantly intense reflections |
0.1236 |
Weighted residual factors for all reflections included in the refinement |
0.1375 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.036 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/7104834.html