Information card for entry 4087122

Structure parameters

• Formula: C29 H32 F6 N4 O4 S
• Calculated formula: C29 H32 F6 N4 O4 S
• Title of publication: Transition-Metal-Free Formation of C-E Bonds (E = C, N, O, S) and Formation of C-M Bonds (M = Mn, Mo) from N-Heterocyclic Carbene Mediated Fluoroalkene C-F Bond Activation.
• Authors of publication: Leclerc, Matthew C.; Gabidullin, Bulat M.; Da Gama, Jason G.; Daifuku, Stephanie L.; Iannuzzi, Theresa E.; Neidig, Michael L.; Baker, R. Tom
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 4
• Pages of publication: 849 - 857
• a: 8.2473 ± 0.0009 Å
• b: 14.5433 ± 0.0015 Å
• c: 28.32 ± 0.003 Å
• α: 90°
• β: 90.445 ± 0.005°
• γ: 90°
• Cell volume: 3396.7 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1499
• Residual factor for significantly intense reflections: 0.1102
• Weighted residual factors for significantly intense reflections: 0.3035
• Weighted residual factors for all reflections included in the refinement: 0.3305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No