Information card for entry 2001468

Structure parameters

• Formula: C21 H32 N2 O5
• Calculated formula: C21 H32 N2 O5
• SMILES: COC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)CC(C)C
• Title of publication: Structure of Boc-Phe-<small>D</small>-Leu-OMe
• Authors of publication: Doi, M.; In, Y.; Ikuma, K.; Inoue, M.; Ishida, T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 8
• Pages of publication: 1528 - 1530
• a: 10.922 ± 0.003 Å
• b: 18.858 ± 0.005 Å
• c: 11.701 ± 0.004 Å
• α: 90°
• β: 104.6 ± 0.03°
• γ: 90°
• Cell volume: 2332.2 ± 1.2 ų
• Cell temperature: 293 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: 0.053
• Weighted residual factors for significantly intense reflections: 0.057
• Goodness-of-fit parameter for significantly intense reflections: 1.505
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No