Information card for entry 1562390

Structure parameters

• Formula: C16 H10 F6 O6 S2
• Calculated formula: C16 H10 F6 O6 S2
• SMILES: S(=O)(=O)(Oc1c2Cc3c(OS(=O)(=O)C(F)(F)F)cccc3Cc2ccc1)C(F)(F)F
• Title of publication: Hydrogen-Bond-Induced Selectivity of a Head-to-Head Photo- Dimerization of Dialkynylanthracene ‒ Access to Tetra Lewis Acids
• Authors of publication: Niermeier, Philipp; Maibom, Kristina; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 9.5762 ± 0.0004 Å
• b: 10.0978 ± 0.0005 Å
• c: 10.1439 ± 0.0003 Å
• α: 87.983 ± 0.003°
• β: 78.962 ± 0.003°
• γ: 69.485 ± 0.004°
• Cell volume: 901.15 ± 0.07 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.033
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No