Information card for entry 4038859

Structure parameters

• Formula: C39 H34 N3 O P
• Calculated formula: C39 H34 N3 O P
• Title of publication: Simultaneous Formation and Functionalization of Aryliminophosphoranes Using 1,3-Dihydro-1<i>H</i>-benzimidazol-2-ones as Precursors.
• Authors of publication: Pattarawarapan, Mookda; Yamano, Dolnapa; Wiriya, Nittaya; Yimklan, Saranphong; Phakhodee, Wong
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• Journal volume: 85
• Journal issue: 20
• Pages of publication: 13330 - 13338
• a: 9.2046 ± 0.0002 Å
• b: 16.5447 ± 0.0004 Å
• c: 21.3255 ± 0.0005 Å
• α: 90°
• β: 91.645 ± 0.002°
• γ: 90°
• Cell volume: 3246.27 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0768
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No