Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7229942
Preview
Coordinates | 7229942.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 11-Aza:Succ |
---|---|
Formula | C34 H52 N2 O12 |
Calculated formula | C34 H52 N2 O12 |
SMILES | [C@]123[C@H]4O[C@@](OO1)(C)CC[C@H]2[C@@H](CC[C@H]3[C@H](C(=O)N4)C)C.C(=O)(CCC(=O)O)O.[C@]123[C@H]4O[C@@](CC[C@H]2[C@@H](CC[C@H]3[C@H](C(=O)N4)C)C)(OO1)C |
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 | 17.9674 ± 0.0007 Å |
b | 10.3025 ± 0.0004 Å |
c | 9.3723 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1734.9 ± 0.16 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 18 |
Hermann-Mauguin space group symbol | P 21 21 2 |
Hall space group symbol | P 2 2ab |
Residual factor for all reflections | 0.0519 |
Residual factor for significantly intense reflections | 0.0455 |
Weighted residual factors for significantly intense reflections | 0.1131 |
Weighted residual factors for all reflections included in the refinement | 0.1171 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
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/7229942.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.