Information card for entry 4067539

Structure parameters

• Formula: C22 H24 Cl F4 N O2
• Calculated formula: C22 H24 Cl F4 N O2
• SMILES: c1(cc(ccc1)C(F)(F)F)C1(CC[NH+](CC1)CCCC(=O)c1ccc(cc1)F)O.[Cl-]
• Title of publication: Sila-Trifluperidol, a Silicon Analogue of the Dopamine (D2) Receptor Antagonist Trifluperidol: Synthesis and Pharmacological Characterization
• Authors of publication: Tacke, Reinhold; Nguyen, Binh; Burschka, Christian; Lippert, W. Peter; Hamacher, Alexandra; Urban, Christian; Kassack, Matthias U.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 7
• Pages of publication: 1652
• a: 37.5474 ± 0.0019 Å
• b: 7.01 ± 0.0004 Å
• c: 15.8691 ± 0.0009 Å
• α: 90°
• β: 91.993 ± 0.003°
• γ: 90°
• Cell volume: 4174.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No