Information card for entry 4067039

Structure parameters

• Formula: C17 H16 F N O
• Calculated formula: C17 H16 F N O
• SMILES: FC([C@H]1NC(=O)CC1)(c1ccccc1)c1ccccc1
• Title of publication: A Novel Fluorinated Gold(I) N-Heterocyclic Carbene Complex: Exploiting Fluorine Stereoelectronic Effects To Control Molecular Topology
• Authors of publication: Paul, Susann; Schweizer, W. Bernd; Ebert, Marc-Olivier; Gilmour, Ryan
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 20
• Pages of publication: 4424
• a: 7.5353 ± 0.0002 Å
• b: 7.8131 ± 0.0002 Å
• c: 23.437 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1379.83 ± 0.08 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No