Information card for entry 7132454

Structure parameters

• Formula: C35 H34 B F4 N O1.5 P
• Calculated formula: C35 H34 B F4 N O1.5 P
• SMILES: P(=O)(c1c(cccc1)C(=C1C=CC(=[N+](C)C)C=C1)c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].O(CC)CC
• 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: 8.3585 ± 0.0006 Å
• b: 14.7884 ± 0.001 Å
• c: 25.0191 ± 0.0017 Å
• α: 90°
• β: 90.077 ± 0.004°
• γ: 90°
• Cell volume: 3092.6 ± 0.4 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No