Information card for entry 7129805

Structure parameters

• Formula: C65 H57 Cl15 F22 Ir N4 O2 P3
• Calculated formula: C65 H57 Cl15 F22 Ir N4 O2 P3
• Title of publication: Tethered photocatalyst-directed palladium-catalysed C–H allenylation of N-aryl tetrahydroisoquinolines
• Authors of publication: Li, Mingfeng; Chia, Xiu Li; Zhu, Ye
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 15.5472 ± 0.0008 Å
• b: 22.4944 ± 0.0012 Å
• c: 23.7093 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8291.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No