Information card for entry 4519061

Structure parameters

• Formula: C21 H26 Cl2 N3 Rh
• Calculated formula: C21 H26 Cl2 N3 Rh
• Title of publication: Rh(III)-Catalyzed [3 + 2] Annulation of Aniline Derivatives with Vinylsilanes via C–H Activation/Alkene Cyclization: Access to Highly Regioselective Indoline Derivatives
• Authors of publication: Khake, Shrikant M.; Chatani, Naoto
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 19
• Pages of publication: 12375 - 12383
• a: 7.1752 ± 0.0002 Å
• b: 8.6053 ± 0.0002 Å
• c: 18.3209 ± 0.0005 Å
• α: 83.552 ± 0.002°
• β: 89.982 ± 0.002°
• γ: 67.377 ± 0.003°
• Cell volume: 1036.44 ± 0.05 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 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: 0.0338
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No