Information card for entry 7100277

Structure parameters

• Formula: C27 H44 B Cu F4 N3 O6
• Calculated formula: C27 H44 B Cu F4 N3 O6
• SMILES: [B]([F][Cu]12(OC(=C(C(=[O]2)C)C)OCC)[N]2=C(C(C3=[N]1[C@H](CO3)C(C)C)(C1=N[C@H](CO1)C(C)C)C)OC[C@@H]2C(C)C)(F)(F)F
• Title of publication: Exploiting C3-Symmetry in the Dynamic Coordination of a Chiral Trisoxazoline to Copper(II): Improved Enantioselectivity, and Catalyst Stability in Asymmetric Lewis Acid Catalysis
• Authors of publication: Lutz Gade; Stephane Bellemin-Laponnaz; Carole Foltz; Guido Marconi; Bjorn Stecker; Hubert Wadepohl
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 9.5673 ± 0.0005 Å
• b: 11.3995 ± 0.0007 Å
• c: 28.6673 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3126.5 ± 0.3 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