Information card for entry 7703039

Structure parameters

• Formula: C18 H28 F3 N4 O4 P S
• Calculated formula: C18 H28 F3 N4 O4 P S
• Title of publication: Using frustrated Lewis pairs to explore C-F bond activation.
• Authors of publication: Briceno-Strocchia, Alvaro I; Johnstone, Timothy C.; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 4
• Pages of publication: 1319 - 1324
• a: 9.0748 ± 0.0008 Å
• b: 14.7556 ± 0.0014 Å
• c: 17.468 ± 0.0017 Å
• α: 71.896 ± 0.005°
• β: 89.899 ± 0.005°
• γ: 89.942 ± 0.006°
• Cell volume: 2223.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1458
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 0.7597
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No