Information card for entry 1563809

Structure parameters

• Formula: C37 H30 B F15 N P
• Calculated formula: C37 H30 B F15 N P
• Title of publication: On 1,3-Phosphaazaallenes and their Diverse Reactivity
• Authors of publication: Fischer, Malte; Hering-Junghans, Christian
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 10.3933 ± 0.0015 Å
• b: 17.413 ± 0.003 Å
• c: 20.363 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3685.3 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No