Information card for entry 1571281

Structure parameters

• Formula: C30 H23 B F7 N S
• Calculated formula: C30 H23 B F7 N 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: 9.7055 ± 0.0006 Å
• b: 11.9141 ± 0.0009 Å
• c: 12.9664 ± 0.001 Å
• α: 79.46 ± 0.002°
• β: 68.373 ± 0.002°
• γ: 70.766 ± 0.002°
• Cell volume: 1312.75 ± 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: 0.0434
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No