Information card for entry 1555247

Structure parameters

• Formula: C21 H19 F O3
• Calculated formula: C21 H19 F O3
• SMILES: Fc1c(C(c2ccc3ccccc3c2O)C(=O)OC(C)C)cccc1
• Title of publication: Ligand and counteranion enabled regiodivergent C-H bond functionalization of naphthols with α-aryl-α-diazoesters.
• Authors of publication: Yu, Zhunzhun; Li, Yongfeng; Zhang, Peichao; Liu, Lu; Zhang, Junliang
• Journal of publication: Chemical science
• Year of publication: 2019
• Journal volume: 10
• Journal issue: 26
• Pages of publication: 6553 - 6559
• a: 8.0324 ± 0.0007 Å
• b: 10.4173 ± 0.0009 Å
• c: 21.4761 ± 0.0018 Å
• α: 90°
• β: 98.076 ± 0.003°
• γ: 90°
• Cell volume: 1779.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No