Information card for entry 1576205

Structure parameters

• Formula: C52 H83 K N O8 P
• Calculated formula: C52 H83 K N O8 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: 2026
• Journal volume: 17
• Journal issue: 1
• Pages of publication: 579 - 584
• a: 9.2969 ± 0.0001 Å
• b: 15.9116 ± 0.0002 Å
• c: 18.7341 ± 0.0003 Å
• α: 79.756 ± 0.001°
• β: 79.904 ± 0.001°
• γ: 79.803 ± 0.001°
• Cell volume: 2654.3 ± 0.06 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No