Information card for entry 1571290

Structure parameters

• Formula: C22 H15 F3 O4 S2
• Calculated formula: C22 H15 F3 O4 S2
• Title of publication: Reactivity of α-diazo sulfonium salts: rhodium-catalysed ring expansion of indenes to naphthalenes.
• Authors of publication: Timmann, Sven; Wu, Tun-Hui; Golz, Christopher; Alcarazo, Manuel
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 16
• Pages of publication: 5938 - 5943
• a: 6.8498 ± 0.0016 Å
• b: 9.93 ± 0.002 Å
• c: 15.949 ± 0.004 Å
• α: 78.205 ± 0.008°
• β: 88.999 ± 0.01°
• γ: 81.864 ± 0.011°
• Cell volume: 1051.2 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0479
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No