Information card for entry 4029962

Structure parameters

• Formula: C18 H26 Cl2 N O Rh
• Calculated formula: C18 H26 Cl2 N O Rh
• SMILES: [Rh]1234(Cl)(Cl)([NH]=C(C)c5ccccc5)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C.O
• 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: 7.441 ± 0.0004 Å
• b: 15.3649 ± 0.0008 Å
• c: 16.7791 ± 0.0009 Å
• α: 90°
• β: 95.969 ± 0.001°
• γ: 90°
• Cell volume: 1907.96 ± 0.18 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.0889
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No