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Information card for entry 2311622
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Coordinates | 2311622.cif |
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Original IUCr paper | HTML |
Common name | Cyclosporine A |
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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 |
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246036 (current) | 2019-12-26 | cif/ Adding structures of 2311622 via cif-deposit CGI script. |
2311622.cif |
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