Information card for entry 7110399

Structure parameters

• Formula: C15 H18 O3
• Calculated formula: C15 H18 O3
• Title of publication: Phase-transfer catalyzed asymmetric Darzens reaction of cyclic α-chloro ketones
• Authors of publication: Arai, Shigeru; Shirai, Yoshiki; Shioiri, Takayuki; Ishida, Toshimasa
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 1
• Pages of publication: 49
• a: 9.919 ± 0.004 Å
• b: 12.587 ± 0.005 Å
• c: 11.624 ± 0.005 Å
• α: 90°
• β: 112.71 ± 0.03°
• γ: 90°
• Cell volume: 1338.7 ± 1 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections included in the refinement: 0.2113
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No