Information card for entry 4113481

Structure parameters

• Formula: C17 H16 O4
• Calculated formula: C18 H16 O4
• Title of publication: Direct Catalytic Asymmetric Aldol Reaction of Hydroxyketones: Asymmetric Zn Catalysis with a Et2Zn/Linked-BINOL Complex
• Authors of publication: Naoya Kumagai; Shigeki Matsunaga; Tomofumi Kinoshita; Shinji Harada; Shigemitsu Okada; Shigeru Sakamoto; Kentaro Yamaguchi; Masakatsu Shibasaki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 2169 - 2178
• a: 16.047 ± 0.001 Å
• b: 19.51 ± 0.002 Å
• c: 4.8643 ± 0.0003 Å
• α: 90.07 ± 0.005°
• β: 90.132 ± 0.003°
• γ: 90.096 ± 0.004°
• Cell volume: 1522.9 ± 0.2 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.2184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.73
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No