Information card for entry 4518040

Structure parameters

• Formula: C1.74 H1.74 O0.35
• Calculated formula: C1.73913 H1.73913 O0.347826
• Title of publication: Chiral Primary Amine-Catalyzed Divergent Coupling of α-Substituted Acrylaldehydes with α-Diazoesters
• Authors of publication: Xue, Zaikun; Li, Yao; Luo, Sanzhong
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 10989
• a: 6.4822 ± 0.0001 Å
• b: 15.0713 ± 0.0002 Å
• c: 16.8103 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1642.29 ± 0.04 ų
• Cell temperature: 110 ± 0.1 K
• Ambient diffraction temperature: 110 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No