Information card for entry 1514812

Structure parameters

• Formula: C5 H11 F4 N2 P
• Calculated formula: C5 H11 F4 N2 P
• SMILES: C1(N(C)CCN1C)=[PH](F)(F)(F)F
• Title of publication: (NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform
• Authors of publication: Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 77
• a: 7.375 ± 0.003 Å
• b: 7.56 ± 0.002 Å
• c: 8.6846 ± 0.0015 Å
• α: 74.688 ± 0.016°
• β: 76.04 ± 0.02°
• γ: 62.6 ± 0.02°
• Cell volume: 410.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1506
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No