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Information card for entry 4032825
Preview
Coordinates | 4032825.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H23 O7.5 |
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Calculated formula | C18 H23 O7.5 |
SMILES | O[C@@H]1[C@@H](OC)C=C([C@H]2OC(O[C@@H]12)(C)C)c1c(O)c(OC)cc(c1)C=O.O |
Title of publication | The Synthesis of Certain Derivatives and Analogues of (-)- and (+)-Galanthamine and an Assessment of their Capacities to Inhibit Acetylcholine Esterase. |
Authors of publication | Buckler, Joshua N.; Taher, Ehab S.; Fraser, Nicolas J.; Willis, Anthony C.; Carr, Paul D.; Jackson, Colin J.; Banwell, Martin G. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 15 |
Pages of publication | 7869 - 7886 |
a | 7.3153 ± 0.0001 Å |
b | 31.4358 ± 0.0003 Å |
c | 7.8245 ± 0.0001 Å |
α | 90° |
β | 94.8743 ± 0.0008° |
γ | 90° |
Cell volume | 1792.83 ± 0.04 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0309 |
Residual factor for significantly intense reflections | 0.0306 |
Weighted residual factors for all reflections | 0.0788 |
Weighted residual factors for significantly intense reflections | 0.0786 |
Weighted residual factors for all reflections included in the refinement | 0.0788 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4032825.html
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Users of the data should acknowledge the original authors of the
structural data.