Information card for entry 1576203

Structure parameters

• Formula: C43 H52 N O2 P
• Calculated formula: C43 H52 N O2 P
• Title of publication: Photochemical Activation of Pincer-Ligated Phosphoranides: Mechanistic Insight for Reduction of Aryl Halides
• Authors of publication: Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 12.0403 ± 0.0002 Å
• b: 12.4082 ± 0.0002 Å
• c: 14.2936 ± 0.0003 Å
• α: 102.973 ± 0.001°
• β: 98.828 ± 0.001°
• γ: 106.389 ± 0.001°
• Cell volume: 1941.96 ± 0.06 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No