Information card for entry 2008120

Structure parameters

• Chemical name: Ter-butoxy carbonyl L-Leucyl-L-Threonyl amide
• Formula: C15 H29 N3 O5
• Calculated formula: C15 H28 N3 O5
• SMILES: C(C)(C)(C)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N
• Title of publication: <i>tert</i>-Butoxycarbonyl-<small>L</small>-leucyl-<small>L</small>-threoninamide
• Authors of publication: S. Banumathi; D. Velmurugan; E. Subramanian; N. Ashish; R. Kishore
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 78 - 79
• a: 7.713 ± 0.002 Å
• b: 8.674 ± 0.001 Å
• c: 28.325 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1895 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.1759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes