Information card for entry 7122678

Structure parameters

• Formula: C32 H32 N4 O2
• Calculated formula: C32 H32 N4 O2
• Title of publication: Enantioselective Synthesis of Tetrahydroisoquinoline Derivatives via Chiral-at-Metal Rhodium Complex Catalyzed [3+2] Cycloaddition
• Authors of publication: Qurban, Saira; Du, Yu; Gong, Jun; Lin, Shao-Xia; Kang, Qiang
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 9.5727 ± 0.0001 Å
• b: 15.8631 ± 0.0002 Å
• c: 17.8255 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2706.85 ± 0.05 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 0.3 K
• Number of distinct elements: 4
• 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: 0.0301
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No