Information card for entry 7131928

Structure parameters

• Formula: C14 H20 B F3 N3 P
• Calculated formula: C14 H20 B F3 N3 P
• Title of publication: Phosphorus Derivatives of Mesoionic Carbenes: Synthesis and Characterization of Triazaphosphole-5-ylidene→ BF3 Adducts
• Authors of publication: Dettling, Lea; Limberg, Niklas; Küppers, Raphaela; Frost, Daniel Sebastian; Weber, Manuela; Coles, Nathan Thomas; Andrada, Diego M.; Muller, Christian
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 11.2355 ± 0.0002 Å
• b: 30.5407 ± 0.0005 Å
• c: 9.5592 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3280.14 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 32
• Hermann-Mauguin space group symbol: P b a 2
• Hall space group symbol: P 2 -2ab
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No