Information card for entry 2203675

Structure parameters

• Chemical name: tert-butoxycarbonyl-L-alanyl-L-lactic acid benzyl ester
• Formula: C18 H25 N O6
• Calculated formula: C18 H25 N O6
• SMILES: O(C(C)(C)C)C(=O)N[C@H](C(=O)O[C@H](C(=O)OCc1ccccc1)C)C
• Title of publication: A short depsipeptide: <i>tert</i>-butoxycarbonyl-<small>L</small>-alanyl-<small>L</small>-lactic acid benzyl ester (Boc-<small>L</small>-Ala-<small>L</small>-Lac-OBzl)
• Authors of publication: Oku, Hiroyuki; Suda, Tomohiro; Yamada, Keiichi; Katakai, Ryoichi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: o720 - o721
• a: 10.365 ± 0.006 Å
• b: 8.827 ± 0.005 Å
• c: 11.001 ± 0.006 Å
• α: 90°
• β: 104.93 ± 0.02°
• γ: 90°
• Cell volume: 972.5 ± 1 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: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes