Information card for entry 7133235

Structure parameters

• Formula: C55 H88 B2 Co F8 N4 O7
• Calculated formula: C55 H88 B2 Co F8 N4 O7
• 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: 12.6042 ± 0.0003 Å
• b: 16.7477 ± 0.0004 Å
• c: 13.9724 ± 0.0004 Å
• α: 90°
• β: 90.008 ± 0.001°
• γ: 90°
• Cell volume: 2949.45 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No