Information card for entry 2017910
Chemical name |
(7aS,10S,11aR)-12,12-dimethyl-6,6-dioxo-3,4,9,10-tetrahydro-7<i>H</i>- 7a,10-methano- 2<i>H</i>-1,3-oxazino[2,3-<i>i</i>][2,1]benzisothiazol-11(8<i>H</i>)-one |
Formula |
C13 H19 N O4 S |
Calculated formula |
C13 H19 N O4 S |
SMILES |
O1CCCN2S(=O)(=O)C[C@]34CC[C@H](C(=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 |
7.697 ± 0.0009 Å |
b |
6.9954 ± 0.0008 Å |
c |
12.2852 ± 0.0013 Å |
α |
90° |
β |
98.145 ± 0.005° |
γ |
90° |
Cell volume |
654.81 ± 0.13 Å3 |
Cell temperature |
210 ± 2 K |
Ambient diffraction temperature |
210 ± 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 |
0.0395 |
Residual factor for significantly intense reflections |
0.031 |
Weighted residual factors for significantly intense reflections |
0.0731 |
Weighted residual factors for all reflections included in the refinement |
0.0764 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.042 |
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/2017910.html