Information card for entry 1576204

Structure parameters

• Formula: C72 H90 N2 O4 P2
• Calculated formula: C72 H90 N2 O4 P2
• 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: 12.6836 ± 0.0009 Å
• b: 44.721 ± 0.003 Å
• c: 11.8935 ± 0.0008 Å
• α: 90°
• β: 98.973 ± 0.001°
• γ: 90°
• Cell volume: 6663.7 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 1 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: 0.111
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No