Information card for entry 1563810

Structure parameters

• Formula: C31 H38 N P
• Calculated formula: C31 H38 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: 26.746 ± 0.004 Å
• b: 26.746 ± 0.004 Å
• c: 20.118 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12463 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1695
• Weighted residual factors for all reflections included in the refinement: 0.1792
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No