Information card for entry 7128852

Structure parameters

• Formula: C22 H24 N O3 P
• Calculated formula: C22 H24 N O3 P
• SMILES: P(=O)(C(N(C)C)c1c(O)ccc(OC)c1)(c1ccccc1)c1ccccc1
• Title of publication: Facile synthesis of α-aminophosphine oxides from diarylphosphine oxides, arynes and formamides.
• Authors of publication: Huang, Wen-Bin; Qiu, Li-Qi; Ren, Fang-Yu; He, Liang-Nian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 75
• Pages of publication: 9578 - 9581
• a: 9.5354 ± 0.0003 Å
• b: 13.7676 ± 0.0005 Å
• c: 15.1853 ± 0.0004 Å
• α: 90°
• β: 90.373 ± 0.003°
• γ: 90°
• Cell volume: 1993.48 ± 0.11 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No