Information card for entry 4029961

Structure parameters

• Formula: C18 H23 Cl N Rh
• Calculated formula: C18 H23 Cl N Rh
• SMILES: [Rh]12345(Cl)([NH]=C(c6c5cccc6)C)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• Title of publication: C-h activation guided by aromatic N-h ketimines: synthesis of functionalized isoquinolines using benzyl azides and alkynes.
• Authors of publication: Gupta, Sreya; Han, Junghoon; Kim, Yongjin; Lee, Soon W.; Rhee, Young Ho; Park, Jaiwook
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 19
• Pages of publication: 9094 - 9103
• a: 27.15 ± 0.009 Å
• b: 15.576 ± 0.005 Å
• c: 8.563 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3621 ± 2 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1282
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 0.785
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No