Information card for entry 4038176

Structure parameters

• Formula: C29 H26 O4
• Calculated formula: C29 H26 O4
• Title of publication: Catalytic Asymmetric [4+2]-Cycloaddition of Ortho-Alkenyl Naphthols/Phenols with Ortho-Quinone Methides: Highly Stereoselective Synthesis of Chiral 2,3,4-Trisubstituted Chromans.
• Authors of publication: Feng, Shubo; Yang, Binmiao; Chen, Tao; Wang, Ran; Deng, Yu-Hua; Shao, ZhiHui
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 14.4047 ± 0.0003 Å
• b: 15.9977 ± 0.0003 Å
• c: 19.8734 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4579.67 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0284
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No