Information card for entry 7154936

Structure parameters

• Formula: C20 H27 Cl F6 N4 P Rh
• Calculated formula: C20 H27 Cl F6 N4 P Rh
• SMILES: [Rh]12345([c]6([c]1([c]4([c]3([c]56C)C)C)C)C)(=C1N(C=CN1C(C)C)c1[n]2cccn1)Cl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Enhancement of N-heterocyclic carbenes on rhodium catalyzed olefination of triazoles.
• Authors of publication: Zhao, Shixian; Wu, Feifei; Ma, Yuyu; Chen, Wanzhi; Liu, Miaochang; Wu, Huayue
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 2550 - 2555
• a: 7.7291 ± 0.0004 Å
• b: 15.0891 ± 0.0006 Å
• c: 21.358 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2490.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No