Information card for entry 7714096

Structure parameters

• Formula: C21 H33 N2 P
• Calculated formula: C21 H33 N2 P
• Title of publication: Triphosphiranes as Phosphinidene-Transfer Agents – Synthesis of Regular and Chelating NHC Phosphinidene Adducts
• Authors of publication: Siewert, Jan-Erik; Schumann, André; Wellnitz, Tim; Dankert, Fabian; Hering-Junghans, Christian
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 10.2794 ± 0.0005 Å
• b: 14.6603 ± 0.0007 Å
• c: 15.1574 ± 0.0007 Å
• α: 90°
• β: 109.108 ± 0.0009°
• γ: 90°
• Cell volume: 2158.35 ± 0.18 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: 0.0618
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No