Information card for entry 7124717

Structure parameters

• Formula: C42.98 H46.96 Ag Cl3.96 N3 O4 P
• Calculated formula: C42.981 H46.96 Ag Cl3.961 N3 O4 P
• Title of publication: Catalytic enantio- and diastereoselective Mannich reaction of α-substituted isocyanoacetates and ketimines.
• Authors of publication: de la Campa, Raquel; Gammack Yamagata, Adam D.; Ortín, Irene; Franchino, Allegra; Thompson, Amber L.; Odell, Barbara; Dixon, Darren J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 70
• Pages of publication: 10632 - 10635
• a: 14.018 ± 0.0001 Å
• b: 17.0222 ± 0.0001 Å
• c: 19.3743 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4623.04 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for all reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0014
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No