Information card for entry 1540744

Structure parameters

• Formula: C44 H46 Ag2 F12 Ir2 N2 O10
• Calculated formula: C44 H46 Ag2 F12 Ir2 N2 O10
• SMILES: [Ir]12345([O]([Ag]67[Ag]([O]([Ir]89%10%11%12([N](O)=C(c%13ccccc%12%13)C)[c]%12([c]8([c]9([c]%10([c]%11%12C)C)C)C)C)C(=O)C(F)(F)F)([O]=C(O7)C(F)(F)F)OC(=[O]6)C(F)(F)F)C(=O)C(F)(F)F)([N](O)=C(c6c3cccc6)C)[c]3([c]1(C)[c]4([c]5([c]23C)C)C)C
• Title of publication: Ir(III)-Catalyzed Synthesis of Isoquinoline N-Oxides from Aryloxime and α-Diazocarbonyl Compounds.
• Authors of publication: Phatake, Ravindra S.; Patel, Pitambar; Ramana, Chepuri V.
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 2
• Pages of publication: 292 - 295
• a: 13.0925 ± 0.00009 Å
• b: 11.3675 ± 0.00008 Å
• c: 17.0939 ± 0.00012 Å
• α: 90°
• β: 90.408 ± 0.001°
• γ: 90°
• Cell volume: 2544 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0462
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No