Information card for entry 7125380

Structure parameters

• Formula: C43 H37 F6 N4 O9 P S2
• Calculated formula: C43 H37 F6 N4 O9 P S2
• Title of publication: P(v) dications: carbon-based Lewis acid initiators for hydrodefluorination.
• Authors of publication: Waked, Alexander E.; Chitnis, Saurabh S.; Stephan, Douglas W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2019
• Journal volume: 55
• Journal issue: 61
• Pages of publication: 8971 - 8974
• a: 10.6663 ± 0.0004 Å
• b: 25.7596 ± 0.001 Å
• c: 16.1421 ± 0.0007 Å
• α: 90°
• β: 100.574 ± 0.002°
• γ: 90°
• Cell volume: 4359.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1131
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No