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Information card for entry 7229941
Preview
Coordinates | 7229941.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 11-Aza:Sal |
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Formula | C22 H29 N O7 |
Calculated formula | C22 H29 N O7 |
SMILES | O1O[C@]2(O[C@H]3NC(=O)[C@@H]([C@H]4[C@@]13[C@@H](CC2)[C@@H](CC4)C)C)C.O=C(O)c1c(O)cccc1 |
Title of publication | 11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons |
Authors of publication | Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D. |
Journal of publication | CrystEngComm |
Year of publication | 2018 |
Journal volume | 20 |
Journal issue | 9 |
Pages of publication | 1205 |
a | 9.79451 ± 0.00014 Å |
b | 9.30687 ± 0.00013 Å |
c | 11.51291 ± 0.00016 Å |
α | 90° |
β | 92.307 ± 0.0012° |
γ | 90° |
Cell volume | 1048.62 ± 0.03 Å3 |
Cell temperature | 100.01 ± 0.1 K |
Ambient diffraction temperature | 100.01 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.028 |
Residual factor for significantly intense reflections | 0.0273 |
Weighted residual factors for significantly intense reflections | 0.0674 |
Weighted residual factors for all reflections included in the refinement | 0.068 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
Diffraction radiation probe | x-ray |
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/7229941.html
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Users of the data should acknowledge the original authors of the
structural data.