Information card for entry 1563807

Structure parameters

• Formula: C25 H26 N P
• Calculated formula: C25 H26 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: 11.3511 ± 0.0007 Å
• b: 12.5307 ± 0.0008 Å
• c: 15.0165 ± 0.0009 Å
• α: 90°
• β: 95.3326 ± 0.001°
• γ: 90°
• Cell volume: 2126.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0571
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No