Information card for entry 2207317

Structure parameters

• Chemical name: tert-Butoxycarbonyl-L-leucyl-L-alanine trichloroethyl ester
• Formula: C16 H27 Cl3 N2 O5
• Calculated formula: C16 H27 Cl3 N2 O5
• SMILES: ClC(Cl)(Cl)COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)CC(C)C)C
• Title of publication: <i>tert</i>-Butoxycarbonyl-<small>L</small>-leucyl-<small>L</small>-alanine trichloroethyl ester (Boc-<small>L</small>-Leu-<small>L</small>-Ala-OTce)
• Authors of publication: Oku, Hiroyuki; Endo, Teruya; Yamada, Keiichi; Katakai, Ryoichi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3864 - o3866
• a: 12.1055 ± 0.0014 Å
• b: 12.1055 ± 0.0014 Å
• c: 26.939 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3418.8 ± 0.8 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 5
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No