Information card for entry 4020712

Structure parameters

• Formula: C37 H56 Cu F3 O5 P4 S
• Calculated formula: C37 H56 Cu F3 O5 P4 S
• SMILES: [Cu]12([O]=P3([C@@H](CC[C@H]3C)C)c3c([P]41[C@@H](CC[C@H]4C)C)cccc3)[O]=P1([C@@H](CC[C@H]1C)C)c1c([P]32[C@@H](CC[C@H]3C)C)cccc1.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Multicomponent One-Pot Procedure for the Synthesis of Free α-Chiral Amines from Aldehydes
• Authors of publication: Alexandre Côté; André B. Charette
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 10864 - 10867
• a: 13.0799 ± 0.0011 Å
• b: 13.5478 ± 0.001 Å
• c: 23.1224 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4097.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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