Information card for entry 4038194

Structure parameters

• Formula: C24 H20 Cl N O3
• Calculated formula: C24 H20 Cl N O3
• SMILES: Clc1cc(C(=O)C[C@H]2NC(c3ccccc3)(COC2=O)c2ccccc2)ccc1
• Title of publication: Catalytic Asymmetric Access to Noncanonical Chiral α-Amino Acids from Cyclic Iminoglyoxylates and Enamides.
• Authors of publication: Zhang, Yue; Li, Jun-Kuan; Zhang, Fa-Guang; Ma, Jun-An
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 9.2465 ± 0.0003 Å
• b: 7.9689 ± 0.0003 Å
• c: 13.2794 ± 0.0006 Å
• α: 90°
• β: 99.416 ± 0.004°
• γ: 90°
• Cell volume: 965.3 ± 0.07 ų
• Cell temperature: 99.9 ± 0.3 K
• Ambient diffraction temperature: 99.9 ± 0.3 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: 0.0565
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No