Information card for entry 4037825

Structure parameters

• Formula: C22 H25 Cl N3 Rh
• Calculated formula: C22 H25 Cl N3 Rh
• SMILES: [Rh]12345(Cl)([n]6c(N7c8c1cccc8CC7)nccc6)[c]1([c]4([c]3([c]2([c]51C)C)C)C)C
• Title of publication: Site-Selective Rh-Catalyzed C-7 and C-6 Dual C-H Functionalization of Indolines: Synthesis of Functionalized Pyrrolocarbazoles.
• Authors of publication: Banerjee, Sonbidya; Vivek Kumar, Sundaravel; Punniyamurthy, Tharmalingam
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 8.314 ± 0.002 Å
• b: 10.671 ± 0.003 Å
• c: 11.777 ± 0.003 Å
• α: 94.821 ± 0.006°
• β: 91.645 ± 0.006°
• γ: 106.762 ± 0.005°
• Cell volume: 995.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 0.872
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No