Information card for entry 1555431

Structure parameters

• Formula: C20 H15 Cl N2 O5
• Calculated formula: C20 H15 Cl N2 O5
• Title of publication: Direct Catalytic Asymmetric Synthesis of β-Hydroxy Acids from Malonic Acid.
• Authors of publication: Gao, Hang; Luo, Zhenli; Ge, Pingjin; He, Junqian; Zhou, Feng; Zheng, Peipei; Jiang, Jun
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 24
• Pages of publication: 5962 - 5965
• a: 12.275 ± 0.003 Å
• b: 11.187 ± 0.002 Å
• c: 13.371 ± 0.003 Å
• α: 90°
• β: 104.835 ± 0.004°
• γ: 90°
• Cell volume: 1774.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No