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Information card for entry 2017912
Preview
Coordinates | 2017912.cif |
---|---|
Structure factors | 2017912.hkl |
Original IUCr paper | HTML |
Chemical name | (7aS,10S,11R,11aR)-12,12-dimethyl-6,6-dioxo-3,4,8,9,10,11-hexhydro- 7<i>H</i>-7a-methano- 2<i>H</i>-[1,3]oxazino[2,3-<i>i</i>][2,1]benzisothiazol-11-ol |
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Formula | C13 H21 N O4 S |
Calculated formula | C13 H21 N O4 S |
SMILES | O1CCCN2S(=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 | 16.5474 ± 0.0018 Å |
b | 7.5668 ± 0.0009 Å |
c | 11.5945 ± 0.0013 Å |
α | 90° |
β | 115.376 ± 0.005° |
γ | 90° |
Cell volume | 1311.7 ± 0.3 Å3 |
Cell temperature | 210 ± 2 K |
Ambient diffraction temperature | 210 ± 2 K |
Number of distinct elements | 5 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0379 |
Residual factor for significantly intense reflections | 0.0317 |
Weighted residual factors for significantly intense reflections | 0.0699 |
Weighted residual factors for all reflections included in the refinement | 0.0726 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2017912.html
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Users of the data should acknowledge the original authors of the
structural data.