Information card for entry 7132455

Structure parameters

• Formula: C45 H38 B F4 N O2 P2
• Calculated formula: C45 H38 B F4 N O2 P2
• Title of publication: Double axial stabilization of a carbenium ion <i>via</i> convergent PO → C⁺ tetrel bonding.
• Authors of publication: Litle, Elishua D.; Gabbaï, François P
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 6
• Pages of publication: 690 - 693
• a: 12.224 ± 0.002 Å
• b: 25.959 ± 0.005 Å
• c: 12.87 ± 0.002 Å
• α: 90°
• β: 91.755 ± 0.005°
• γ: 90°
• Cell volume: 4082 ± 1.2 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No