Information card for entry 2004947

Structure parameters

• Common name: DADLE HCl
• Chemical name: [D-Ala^2^,D-Leu^5^]-enkephalin hydrochloride
• Formula: C33 H48 Cl N5 O8
• Calculated formula: C33 H47 Cl N5 O8
• Title of publication: [ <small>D</small>-Ala^2^, <small>D</small>-Leu^5^]-Enkephalin Hydrochloride
• Authors of publication: Deschamps, J. R.; George, C.; Flippen-Anderson, J. L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1583 - 1585
• a: 14.498 ± 0.005 Å
• b: 9.263 ± 0.003 Å
• c: 14.703 ± 0.004 Å
• α: 90°
• β: 103.16 ± 0.02°
• γ: 90°
• Cell volume: 1922.7 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1279
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections: 0.2138
• Weighted residual factors for significantly intense reflections: 0.1824
• Goodness-of-fit parameter for all reflections: 1.094
• Goodness-of-fit parameter for significantly intense reflections: 1.236
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No