Information card for entry 7122738

Structure parameters

• Formula: C26 H22 F6 N P S
• Calculated formula: C26 H22 F6 N P S
• Title of publication: Annulating thiazolium cations via direct double C–H activation strategy: Rh–N,S-heterocyclic carbene is the key
• Authors of publication: Dutta, Champak; Sainaba, Arppitha Baby; Choudhury, Joyanta
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 10.7758 ± 0.0003 Å
• b: 18.0546 ± 0.0004 Å
• c: 12.5689 ± 0.0003 Å
• α: 90°
• β: 103.254 ± 0.002°
• γ: 90°
• Cell volume: 2380.18 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1846
• Weighted residual factors for all reflections included in the refinement: 0.1956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.301
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No