Information card for entry 2001469

Structure parameters

• Formula: C28 H46 N4 O8
• Calculated formula: C28 H46 N4 O8
• SMILES: COC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)CC(C)C.O=CN(C)C
• Title of publication: Structure of Boc-Phe-<small>D</small>-Leu-Thr-OMe
• Authors of publication: Doi, M.; In, Y.; Tanaka, M.; Inoue, M.; Ishida, T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 8
• Pages of publication: 1530 - 1532
• a: 29.807 ± 0.01 Å
• b: 9.469 ± 0.002 Å
• c: 11.515 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3250 ± 1.4 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.065
• Goodness-of-fit parameter for significantly intense reflections: 0.804
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No