Information card for entry 1577267

Structure parameters

• Common name: AU-234
• Formula: C19 H21 Cl Ir N O4
• Calculated formula: C19 H21 Cl Ir N O4
• Title of publication: Substrate‑Driven Iridium Photocatalysts Enable Diastereoselective Dearomative Polyoxygenation of Hydroxyquinolines
• Authors of publication: Uroz, Andrea; Blanco, Laura; Díaz-Tendero, Sergio; Feberero, Claudia; Collado, Alba; Cabrera, Silvia; Aleman, Jose
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 14.8506 ± 0.0005 Å
• b: 15.3649 ± 0.0007 Å
• c: 17.0306 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3886 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0474
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No