Information card for entry 7133234

Structure parameters

• Formula: C21 H20 O4
• Calculated formula: C21 H20 O4
• Title of publication: Asymmetric dearomatization of benzyl 1-naphthyl ethers via [1,3] O-to-C rearrangement
• Authors of publication: Zeng, Hongkun; Wen, gang; Lin, Lili; Feng, Xiaoming
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 8.5423 ± 0.0002 Å
• b: 12.3659 ± 0.0002 Å
• c: 16.7686 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1771.32 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0275
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No