Information card for entry 4113554

Structure parameters

• Formula: C22 H30 Ce1.33 N6 O16
• Calculated formula: C22 H30 Ce1.33333 N10 O28
• Title of publication: Catalytic Asymmetric Aldol Reactions in Aqueous Media Using Chiral Bis-pyridino-18-crown-6-Rare Earth Metal Triflate Complexes
• Authors of publication: Tomoaki Hamada; Kei Manabe; Shunpei Ishikawa; Satoshi Nagayama; Motoo Shiro; Shū Kobayashi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 2989 - 2996
• a: 27.433 ± 0.003 Å
• b: 27.439 ± 0.005 Å
• c: 10.784 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7030 ± 3 ų
• Cell temperature: 123.2 K
• Number of distinct elements: 5
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No