Information card for entry 2202966

Structure parameters

• Chemical name: tert-butoxycarbonyl-L-leucyl-L-alanine ethyl ester
• Formula: C16 H30 N2 O5
• Calculated formula: C16 H30 N2 O5
• SMILES: O(C(C)(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)OCC)C)CC(C)C
• Title of publication: N—H···O=C hydrogen bonding and O···O=C repulsive interactions in <i>tert</i>-butoxycarbonyl-<small>L</small>-leucyl-<small>L</small>-alanine ethyl ester (Boc-<small>L</small>-Leu-<small>L</small>-Ala-OEt)
• Authors of publication: Oku, Hiroyuki; Yamada, Keiichi; Katakai, Ryoichi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: o1581 - o1583
• a: 11.322 ± 0.006 Å
• b: 19.903 ± 0.009 Å
• c: 25.828 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5820 ± 5 ų
• Cell temperature: 173.1 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 significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.431
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes