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Information card for entry 2243402
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| Coordinates | 2243402.cif |
|---|---|
| Structure factors | 2243402.hkl |
| Original IUCr paper | HTML |
| Common name | Gefitinib‒azelaic acid (1/1) |
|---|---|
| Chemical name | Quinazolin-4-amine‒nonanedioic acid (1/1) |
| Formula | C31 H40 Cl F N4 O7 |
| Calculated formula | C31 H40 Cl F N4 O7 |
| Title of publication | Crystal structure of a 1:1 co-crystal of the anticancer drug gefitinib with azelaic acid |
| Authors of publication | George, Christy P.; Sangtani, Ekta; Gonnade, Rajesh G. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 6 |
| Pages of publication | 884 - 888 |
| a | 10.7716 ± 0.001 Å |
| b | 7.4153 ± 0.0013 Å |
| c | 38.175 ± 0.007 Å |
| α | 90° |
| β | 92.311 ± 0.005° |
| γ | 90° |
| Cell volume | 3046.7 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0697 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.1005 |
| Weighted residual factors for all reflections included in the refinement | 0.1103 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252316 (current) | 2020-05-23 | cif/ hkl/ Adding structures of 2243402 via cif-deposit CGI script. |
2243402.cif 2243402.hkl |
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Users of the data should acknowledge the original authors of the
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