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Information card for entry 4029676
Preview
Coordinates | 4029676.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H26 N4 O10 |
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Calculated formula | C23 H26 N4 O10 |
SMILES | [C@H]12C[C@H](O)C[C@H]3[C@@H]1c1c(O3)c(OC)ccc1CC[NH+](C)C2.[O-]c1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O.[C@@H]12C[C@@H](O)C[C@@H]3[C@H]1c1c(O3)c(OC)ccc1CC[NH+](C)C2.[O-]c1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O |
Title of publication | Synthesis of a D-Ring Isomer of Galanthamine via a Radical-Based Smiles Rearrangement Reaction. |
Authors of publication | Lan, Ping; Jackson, Colin J.; Banwell, Martin G.; Willis, Anthony C. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 14 |
Pages of publication | 6759 - 6764 |
a | 10.9504 ± 0.0002 Å |
b | 9.5641 ± 0.0002 Å |
c | 21.54 ± 0.0004 Å |
α | 90° |
β | 97.2592 ± 0.0009° |
γ | 90° |
Cell volume | 2237.82 ± 0.07 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0742 |
Residual factor for significantly intense reflections | 0.046 |
Weighted residual factors for all reflections | 0.1196 |
Weighted residual factors for significantly intense reflections | 0.1067 |
Weighted residual factors for all reflections included in the refinement | 0.1196 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9585 |
Diffraction radiation wavelength | 0.71073 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/4029676.html
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Users of the data should acknowledge the original authors of the
structural data.