Information card for entry 7131927

Structure parameters

• Formula: C15 H23 F6 N3 P2
• Calculated formula: C15 H23 F6 N3 P2
• 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: 10.3822 ± 0.0004 Å
• b: 8.4426 ± 0.0002 Å
• c: 21.5901 ± 0.0007 Å
• α: 90°
• β: 95.434 ± 0.001°
• γ: 90°
• Cell volume: 1883.93 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 99.95 K
• Number of distinct elements: 5
• 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: 0.0712
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.1711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No