Information card for entry 1571286

Structure parameters

• Formula: C23 H25 B F4 O2 S
• Calculated formula: C23 H25 B F4 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: 7.4771 ± 0.0006 Å
• b: 9.2628 ± 0.0008 Å
• c: 15.6995 ± 0.0014 Å
• α: 75.56 ± 0.003°
• β: 84.91 ± 0.004°
• γ: 85.28 ± 0.005°
• Cell volume: 1046.79 ± 0.16 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: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No