Information card for entry 2203832

Structure parameters

• Chemical name: tert-Butyloxycarbonyl-L-Alanyl-L-Leucyl-L-Lactic Acid
• Formula: C17 H30 N2 O7
• Calculated formula: C17 H30 N2 O7
• SMILES: O(C(C)(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)O[C@H](C(=O)O)C)CC(C)C)C
• Title of publication: An N-protected depsipeptide free acid prepared by direct synthesis without using a terminal-C protecting group: <i>tert</i>-butoxycarbonyl-<small>L</small>-alanyl-<small>L</small>-leucyl-<small>L</small>-lactic acid (Boc-<small>L</small>-Ala-<small>L</small>-Leu-<small>L</small>-Lac-OH)
• Authors of publication: Oku, Hiroyuki; Yamada, Keiichi; Katakai, Ryoichi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: o927 - o929
• a: 8.826 ± 0.002 Å
• b: 10.951 ± 0.002 Å
• c: 11.043 ± 0.002 Å
• α: 90°
• β: 101.57 ± 0.02°
• γ: 90°
• Cell volume: 1045.7 ± 0.4 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.255
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes