Information card for entry 4033347

Structure parameters

• Formula: C28 H24 F N O
• Calculated formula: C28 H24 F N O
• SMILES: Fc1cc(CN2[C@H](C[C@H](c3c2cccc3)c2ccccc2)c2ccccc2O)ccc1
• Title of publication: Catalytic Asymmetric [4+2] Cycloaddition of in Situ Generated o-Quinone Methide Imines with o-Hydroxystyrenes: Diastereo- and Enantioselective Construction of Tetrahydroquinoline Frameworks.
• Authors of publication: Li, Lin-Zhi; Wang, Cong-Shuai; Guo, Wei-Feng; Mei, Guang-Jian; Shi, Feng
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 2
• Pages of publication: 614 - 623
• a: 16.6532 ± 0.0003 Å
• b: 21.5744 ± 0.0004 Å
• c: 6.152 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2210.31 ± 0.07 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301.02 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No