Information card for entry 7034869

Structure parameters

• Formula: C30 H35 F3 N2 O3 S
• Calculated formula: C30 H35 F3 N2 O3 S
• Title of publication: Frustrated N-heterocyclic carbene-silylium ion Lewis pairs.
• Authors of publication: Silva Valverde, Miguel F.; Theuergarten, Eileen; Bannenberg, Thomas; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 20
• Pages of publication: 9400 - 9408
• a: 8.751 ± 0.0005 Å
• b: 11.0657 ± 0.0006 Å
• c: 15.6228 ± 0.0008 Å
• α: 73.544 ± 0.005°
• β: 79.645 ± 0.005°
• γ: 83.429 ± 0.004°
• Cell volume: 1424.01 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0552
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No