Information card for entry 7108885

Structure parameters

• Formula: C24 H28 Cl F6 N3 Si
• Calculated formula: C24 H28 Cl F6 N3 Si
• SMILES: Cl[Si]1([N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C)(N(c1ccccc1)C(=C(F)F)C(F)(F)F)F
• Title of publication: Metal free and selective activation of one C-F bond in a bound CF3 group
• Authors of publication: Ramachandran Azhakar; Herbert W. Roesky; Hilke Wolf; Dietmar Stalke
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 18
• Pages of publication: 1841 - 1843
• a: 10.617 ± 0.002 Å
• b: 16.479 ± 0.003 Å
• c: 14.578 ± 0.002 Å
• α: 90°
• β: 93.59 ± 0.02°
• γ: 90°
• Cell volume: 2545.5 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0652
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No