Information card for entry 2019123

Structure parameters

• Chemical name: 2-[Anilino(diphenylphosphoryl)methyl]phenol
• Formula: C25 H22 N O2 P
• Calculated formula: C25 H22 N O2 P
• SMILES: P(=O)(C(Nc1ccccc1)c1ccccc1O)(c1ccccc1)c1ccccc1
• Title of publication: 2-[Anilino(diphenylphosphoryl)methyl]phenol from a three-component Kabachnik‒Fields reaction
• Authors of publication: Wu, Ming-Shu; Feng, Qing-Qin; Li, Gao-Nan; Wan, De-Hui
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: 1070 - 1072
• a: 12.5489 ± 0.0004 Å
• b: 16.456 ± 0.0005 Å
• c: 20.9643 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4329.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes