Information card for entry 7120887

Structure parameters

• Common name: None
• Formula: C20 H15 F3 N O P
• Calculated formula: C20 H15 F3 N O P
• SMILES: P(c1ccccc1)(c1ccccc1)c1c(NC(=O)C(F)(F)F)cccc1
• Title of publication: An ambiphilic phosphine/H-bond donor ligand and its application to the gold mediated cyclization of propargylamides
• Authors of publication: Sen, Srobona; Gabbaï, François P.
• Journal of publication: Chemical Communications
• Year of publication: 2017
• a: 9.05 ± 0.002 Å
• b: 10.383 ± 0.003 Å
• c: 10.614 ± 0.003 Å
• α: 104.413 ± 0.003°
• β: 108.914 ± 0.002°
• γ: 98.323 ± 0.002°
• Cell volume: 885.7 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0748
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No