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Information card for entry 1548355
Preview
| Coordinates | 1548355.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H21 F3 N4 O4 S |
|---|---|
| Calculated formula | C26 H21 F3 N4 O4 S |
| SMILES | s1c2cccc(Oc3ncnc(c4ccc(C(F)(F)F)cc4)c3)c2nc1NC(=O)C.O=C(O)/C=C/C=C/C |
| Title of publication | The co-crystal approach to improve the exposure of a water-insoluble compound: AMG 517 sorbic acid co-crystal characterization and pharmacokinetics |
| Authors of publication | Annette Bak; Anu Gore; Evelyn Yanez; Mary Stanton; Sunita Tufekcic; Rashid Syed; Anna Akrami; Mark Rose; Sekhar Surapaneni; Tracy Bostick; Anthony King; Sesha Neervannan; Drazen Ostovic; Arun Koparkar |
| Journal of publication | Journal of Pharmaceutical Sciences |
| Year of publication | 2008 |
| Journal volume | 97 |
| Pages of publication | 3942 - 3956 |
| a | 4.7197 Å |
| b | 8.8119 Å |
| c | 29.6402 Å |
| α | 89° |
| β | 85° |
| γ | 81° |
| Cell volume | 1212.9 Å3 |
| Cell temperature | 113.1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for all reflections included in the refinement | 0.058 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.804 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203867 (current) | 2017-12-01 | cif/ Adding structures of 1548355 via cif-deposit CGI script. |
1548355.cif |
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Users of the data should acknowledge the original authors of the
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