Information card for entry 2000313

Structure parameters

• Formula: C25 H35 N O4
• Calculated formula: C25 H35 N O4
• SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H]1[C@H]([C@H]1C(=O)N1CCOCC1)c1ccccc1)C(C)C
• Title of publication: Determination of the absolute configuration of a novel dipeptide isostere
• Authors of publication: Lynch, V. M.; Austin, R. E.; Martin, S. F.; George, T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1991
• Journal volume: 47
• Journal issue: 6
• Pages of publication: 1345 - 1347
• a: 9.359 ± 0.002 Å
• b: 10.117 ± 0.001 Å
• c: 24.71 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2339.7 ± 0.7 ų
• 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
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No