Information card for entry 1571287

Structure parameters

• Formula: C31 H25 F3 O5 S2
• Calculated formula: C31 H25 F3 O5 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: 12.1265 ± 0.0005 Å
• b: 11.7452 ± 0.0005 Å
• c: 19.7744 ± 0.0009 Å
• α: 90°
• β: 106.223 ± 0.002°
• γ: 90°
• Cell volume: 2704.3 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No