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Information card for entry 1553252
Preview
| Coordinates | 1553252.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H63 N7 O9 |
|---|---|
| Calculated formula | C41 H63 N7 O9 |
| Title of publication | Passive Membrane Permeability of Macrocycles Can Be Controlled by Exocyclic Amide Bonds. |
| Authors of publication | Hickey, Jennifer L.; Zaretsky, Serge; St Denis, Megan A.; Kumar Chakka, Sai; Morshed, M. Monzur; Scully, Conor C. G.; Roughton, Andrew L.; Yudin, Andrei K. |
| Journal of publication | Journal of medicinal chemistry |
| Year of publication | 2016 |
| Journal volume | 59 |
| Journal issue | 11 |
| Pages of publication | 5368 - 5376 |
| a | 13.1244 ± 0.001 Å |
| b | 13.601 ± 0.0009 Å |
| c | 48.964 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8740.3 ± 1 Å3 |
| Cell temperature | 147 ± 2 K |
| Ambient diffraction temperature | 147 ± 2 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 | 0.0352 |
| Residual factor for significantly intense reflections | 0.0334 |
| Weighted residual factors for significantly intense reflections | 0.0854 |
| Weighted residual factors for all reflections included in the refinement | 0.0869 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234009 (current) | 2019-11-23 | cif/ Adding structures of 1553252 via cif-deposit CGI script. |
1553252.cif |
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Users of the data should acknowledge the original authors of the
structural data.