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Information card for entry 7116176
Preview
Coordinates | 7116176.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H11 N O3 |
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Calculated formula | C16 H11 N O3 |
SMILES | o1cc(c(=O)c2ccccc12)C(=O)Nc1ccccc1 |
Title of publication | Discovery of two new classes of potent monoamine oxidase-B inhibitors by tricky chemistry. |
Authors of publication | Cagide, F.; Silva, T.; Reis, J.; Gaspar, A.; Borges, F.; Gomes, L. R.; Low, J. N. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2015 |
Journal volume | 51 |
Journal issue | 14 |
Pages of publication | 2832 |
a | 6.6795 ± 0.0002 Å |
b | 7.3003 ± 0.0003 Å |
c | 24.602 ± 0.0017 Å |
α | 90° |
β | 94.306 ± 0.007° |
γ | 90° |
Cell volume | 1196.27 ± 0.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0373 |
Residual factor for significantly intense reflections | 0.0343 |
Weighted residual factors for significantly intense reflections | 0.0934 |
Weighted residual factors for all reflections included in the refinement | 0.0953 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7116176.html
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