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Information card for entry 7229946
Preview
| Coordinates | 7229946.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 11-Aza:D-Mal |
|---|---|
| Formula | C34 H52 N2 O13 |
| Calculated formula | C34 H52 N2 O13 |
| 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 | 10.43733 ± 0.00012 Å |
| b | 18.04445 ± 0.00019 Å |
| c | 18.6345 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3509.54 ± 0.07 Å3 |
| Cell temperature | 99.97 ± 0.1 K |
| Ambient diffraction temperature | 99.97 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0298 |
| Residual factor for significantly intense reflections | 0.0284 |
| Weighted residual factors for significantly intense reflections | 0.0715 |
| Weighted residual factors for all reflections included in the refinement | 0.0725 |
| 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 | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7229946.cif |
| 229075 | 2019-11-17 | cif/ Updating files of 7229939, 7229940, 7229941, 7229942, 7229943, 7229944, 7229945, 7229946 Original log message: Adding full bibliography for 7229939--7229946.cif. |
7229946.cif |
| 205058 | 2018-01-11 | cif/ Adding structures of 7229939, 7229940, 7229941, 7229942, 7229943, 7229944, 7229945, 7229946 via cif-deposit CGI script. |
7229946.cif |
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Users of the data should acknowledge the original authors of the
structural data.