Information card for entry 4020644

Structure parameters

• Formula: C24 H40 F N3 O3 S
• Calculated formula: C24 H40 F N3 O3 S
• SMILES: Fc1cccc(c1N1CCN(CC1)C(=O)OC(C)(C)C)[C@H](CC(C)C)NS(=O)C(C)(C)C
• Title of publication: Practical Asymmetric Synthesis of α-Branched 2-Piperazinylbenzylamines by 1,2-Additions of Organometallic Reagents to N-tert-Butanesulfinyl Imines
• Authors of publication: Wanlong Jiang; Chen Chen; Dragan Marinkovic; Joe A. Tran; Caroline W. Chen; L. Melissa Arellano; Nicole S. White; Fabio C. Tucci
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 8924 - 8931
• a: 9.548 ± 0.005 Å
• b: 11.666 ± 0.006 Å
• c: 47.61 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5303 ± 4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No