Information card for entry 1100307

Structure parameters

• Formula: C30 H38 N2 O5
• Calculated formula: C31 H32 N2 O5
• SMILES: OCC.O=CN[C@@H]([C@@H]([C@H](N(Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)O)C(=O)OCC.OCC.O=CN[C@H]([C@H]([C@@H](N(Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)O)C(=O)OCC
• Title of publication: Stereoselective synthesis of α,γ-diamino-β-hydroxy amino acid esters: A new class of amino acids
• Authors of publication: Reetz, M. T.; Wünsch, T.; Harms, K.
• Journal of publication: Tetrahedron: Asymmetry
• Year of publication: 1990
• Journal volume: 1
• Journal issue: 6
• Pages of publication: 371 - 374
• a: 9.617 ± 0.001 Å
• b: 11.345 ± 0.001 Å
• c: 15.09 ± 0.002 Å
• α: 97.07 ± 0.01°
• β: 108.05 ± 0.01°
• γ: 107.29 ± 0.01°
• Cell volume: 1452.04 ų
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No