Information card for entry 4021258

Structure parameters

• Formula: C16 H17 N O2
• Calculated formula: C16 H17 N O2
• SMILES: [C@@H](CO)(c1ccccc1)ON=Cc1ccc(cc1)C
• Title of publication: Enantioselective Synthesis of Primary 1-(Aryl)alkylamines by Nucleophilic 1,2-Addition of Organolithium Reagents to Hydroxyoxime Ethers and Application to Asymmetric Synthesis of G-Protein-Coupled Receptor Ligands
• Authors of publication: Masakazu Atobe; Naoki Yamazaki; Chihiro Kibayashi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 5595 - 5607
• a: 5.525 ± 0.0002 Å
• b: 30.929 ± 0.0013 Å
• c: 8.114 ± 0.0004 Å
• α: 90°
• β: 95.724 ± 0.002°
• γ: 90°
• Cell volume: 1379.63 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No