Information card for entry 4036222

Structure parameters

• Formula: C138 H168 F6 O44 P4 S2 Y2
• Calculated formula: C114 H112 F6 O44 P4 S2 Y2
• Title of publication: Chiral Bimetallic Catalysts Derived from Chiral Metal Phosphates: Enantioselective Three-Component Asymmetric Aza-Diels-Alder Reactions of Cyclic Ketones.
• Authors of publication: Deng, Yongming; Karunaratne, Chamini V.; Csatary, Erika; Tierney, David L.; Wheeler, Kraig; Wang, Hong
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 16
• Pages of publication: 7984 - 7993
• a: 17.061 ± 0.0005 Å
• b: 17.2598 ± 0.0007 Å
• c: 23.1595 ± 0.0006 Å
• α: 90°
• β: 95.062 ± 0.001°
• γ: 90°
• Cell volume: 6793.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1205
• Residual factor for significantly intense reflections: 0.1152
• Weighted residual factors for significantly intense reflections: 0.3054
• Weighted residual factors for all reflections included in the refinement: 0.3176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.484
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No