Information card for entry 1556155

Structure parameters

• Formula: C20 H21 Cl N O Rh
• Calculated formula: C20 H21 Cl N O Rh
• SMILES: [Rh]12345(Cl)([n]6c7c(C5=O)cccc7ccc6)[c]5([c]1(C)[c]2(C)[c]3([c]45C)C)C
• Title of publication: Rhodium(III)-catalyzed intermolecular direct amidation of aldehyde C-H bonds with N-chloroamines at room temperature.
• Authors of publication: Zhou, Bing; Du, Juanjuan; Yang, Yaxi; Li, Yuanchao
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 12
• Pages of publication: 2934 - 2937
• a: 15.6316 ± 0.0011 Å
• b: 14.9322 ± 0.0011 Å
• c: 15.632 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3648.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No