Information card for entry 2311622

Structure parameters

• 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 ų
• 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