Information card for entry 1571285

Structure parameters

• Formula: C26 H20 B F7 O2 S
• Calculated formula: C26 H20 B F6.9991 O2 S
• 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: 8.946 ± 0.002 Å
• b: 10.892 ± 0.003 Å
• c: 12.669 ± 0.004 Å
• α: 95.044 ± 0.007°
• β: 109.263 ± 0.011°
• γ: 93.731 ± 0.009°
• Cell volume: 1155 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No