Information card for entry 1573570

Structure parameters

• Formula: C31 H29 F2 O4 P
• Calculated formula: C31 H29 F2 O4 P
• SMILES: P(c1c2c(ccc1)c(C(C(=O)OC)(CC(F)(F)C(=O)OCC)C)ccc2)(c1ccccc1)c1ccccc1
• Title of publication: Ruthenium-catalyzed three-component tandem remote C-H functionalization of naphthalenes: modular and concise synthesis of multifunctional naphthalenes.
• Authors of publication: Huang, Mao-Gui; Fu, Yue-Liu-Ting; Li, Jia-Wei; Liu, Yue-Jin
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 4
• Pages of publication: 1957 - 1965
• a: 9.6234 ± 0.0001 Å
• b: 10.4927 ± 0.0001 Å
• c: 14.0802 ± 0.0002 Å
• α: 99.31 ± 0.001°
• β: 98.054 ± 0.001°
• γ: 100.619 ± 0.001°
• Cell volume: 1357.67 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No