Information card for entry 8100950
Formula |
C15 H18 N2 O5 S |
Calculated formula |
C15 H18 N2 O5 S |
Title of publication |
Crystal structure of 1-benzoylamino-8a-hydroperoxy-1,5,6,7,8,8a-hexahydro- 4H-cyclohepta[c]isothiazole 2,2-dioxide, C~15~H~18~N~2~O~5~S |
Authors of publication |
Kolberg, A.; Schulze, B.; Sieler, J. |
Journal of publication |
Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication |
2001 |
Journal volume |
216 |
Journal issue |
2 |
Pages of publication |
309 - 310 |
a |
9.2023 ± 0.0006 Å |
b |
9.3636 ± 0.0006 Å |
c |
9.9442 ± 0.0007 Å |
α |
112.628 ± 0.001° |
β |
92.811 ± 0.001° |
γ |
95.045 ± 0.001° |
Cell volume |
784.63 ± 0.09 Å3 |
Cell temperature |
218 ± 2 K |
Ambient diffraction temperature |
218 ± 2 K |
Number of distinct elements |
5 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/8100950.html