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Information card for entry 4516374
Preview
| Coordinates | 4516374.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H19 N3 O8 |
|---|---|
| Calculated formula | C20 H19 N3 O8 |
| SMILES | O=C(O)c1cc(O)c(O)c(O)c1.O=C1NC(=O)CCC1N1Cc2c(N)cccc2C1=O |
| Title of publication | Lenalidomide–Gallic Acid Cocrystals with Constant High Solubility |
| Authors of publication | Song, Jia-Xi; Chen, Jia-Mei; Lu, Tong-Bu |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 10 |
| Pages of publication | 4869 |
| a | 7.4961 ± 0.0007 Å |
| b | 8.3257 ± 0.0009 Å |
| c | 16.3618 ± 0.0012 Å |
| α | 92.217 ± 0.007° |
| β | 90.992 ± 0.007° |
| γ | 115.549 ± 0.01° |
| Cell volume | 919.95 ± 0.17 Å3 |
| Cell temperature | 150.01 ± 0.1 K |
| Ambient diffraction temperature | 150.01 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0705 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.0942 |
| Weighted residual factors for all reflections included in the refinement | 0.1093 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4516374.cif |
| 231273 | 2019-11-22 | cif/ Adding structures of 4516374 via cif-deposit CGI script. |
4516374.cif |
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Users of the data should acknowledge the original authors of the
structural data.