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Information card for entry 2311622
Preview
| Coordinates | 2311622.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Cyclosporine A |
|---|---|
| Chemical name | (E)-14,17,26,32-tetrabutyl-5-ethyl-8-(1-hydroxy-2-methylhex-4-enyl)- 1,3,9,12,15,18,20,23,27-nonamethyl-11,29-dipropyl- 1,3,6,9,12,15,18,21,24,27,30-undecaazacyclodotriacontan- 2,4,7,10,13,16,19,22,25,28,31-undecaone |
| Formula | C62 H112.5 N11 O12.75 |
| Calculated formula | C62 H112.507 N11 O12.7535 |
| Title of publication | Charge-density study on cyclosporine A. |
| Authors of publication | Johnas, S. K. J.; Dittrich, B.; Meents, A.; Messerschmidt, M.; Weckert, E. F. |
| Journal of publication | Acta crystallographica. Section D, Biological crystallography |
| Year of publication | 2009 |
| Journal volume | 65 |
| Journal issue | Pt 3 |
| Pages of publication | 284 - 293 |
| a | 12.496 ± 0.0015 Å |
| b | 15.645 ± 0.0014 Å |
| c | 35.653 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6970.2 ± 1.2 Å3 |
| Cell temperature | 5 K |
| Ambient diffraction temperature | 5 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 | 0.025 |
| Residual factor for significantly intense reflections | 0.0246 |
| Weighted residual factors for all reflections included in the refinement | 0.0571 |
| Goodness-of-fit parameter for all reflections included in the refinement | 3.6987 |
| Diffraction radiation wavelength | 0.6261 Å |
| Diffraction radiation type | monochromatedsynchrotronradiation |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246036 (current) | 2019-12-26 | cif/ Adding structures of 2311622 via cif-deposit CGI script. |
2311622.cif |
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Users of the data should acknowledge the original authors of the
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