Information card for entry 2017911
Chemical name |
(6aS,9S,10R,10aR)-11,11-dimethyl-5,5-dioxo-2,3,7,8,9,10-hexahydro- 6<i>H</i>-6a,9-methanooxazolo[2,3-<i>i</i>][2,1]benziisothiazol-10-ol |
Formula |
C12 H19 N O4 S |
Calculated formula |
C12 H19 N O4 S |
SMILES |
O1CCN2S(=O)(=O)C[C@]34CC[C@H]([C@@H](O)[C@@]123)C4(C)C |
Title of publication |
Four novel spirooxazacamphorsultam derivatives |
Authors of publication |
Wilke, Burkhardt I.; Goodenough, Angela K.; Bausch, Cory C.; Cline, Erika N.; Abrams, M. Leigh; Fayer, Effrat L.; Swenson, Dale C.; Cermak, Diana M. |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2010 |
Journal volume |
66 |
Journal issue |
12 |
Pages of publication |
o600 - o605 |
a |
7.3091 ± 0.0008 Å |
b |
10.9033 ± 0.0012 Å |
c |
15.211 ± 0.0016 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1212.2 ± 0.2 Å3 |
Cell temperature |
190 ± 2 K |
Ambient diffraction temperature |
190 ± 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 |
0.0365 |
Residual factor for significantly intense reflections |
0.031 |
Weighted residual factors for significantly intense reflections |
0.0733 |
Weighted residual factors for all reflections included in the refinement |
0.0766 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.063 |
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/2017911.html