Information card for entry 1577269

Structure parameters

• Formula: C22 H27 Cl Ir N O
• Calculated formula: C22 H27 Cl Ir N O
• 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: 8.4047 ± 0.0004 Å
• b: 15.4037 ± 0.0008 Å
• c: 16.1333 ± 0.001 Å
• α: 90°
• β: 98.707 ± 0.005°
• γ: 90°
• Cell volume: 2064.6 ± 0.2 ų
• Cell temperature: 296.3 K
• Ambient diffraction temperature: 296.3 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No