Information card for entry 4514384

Structure parameters

• Formula: C24 H29 N2 O3 Rh S
• Calculated formula: C24 H29 N2 O3 Rh S
• SMILES: [Rh]12345([n]6ccccc6)(N(S(=O)(=O)c6c1cccc6C)C(=O)C)[c]1([c]2([c]5([c]4([c]31C)C)C)C)C
• Title of publication: RhCl3-Catalyzed Oxidative C‒H/C‒H Cross-Coupling of (Hetero)aromatic Sulfonamides with (Hetero)arenes
• Authors of publication: Ran, You; Yang, Yudong; You, Huansha; You, Jingsong
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 3
• Pages of publication: 1796
• a: 9.8164 ± 0.0003 Å
• b: 14.358 ± 0.0004 Å
• c: 17.0526 ± 0.0004 Å
• α: 90°
• β: 90.736 ± 0.003°
• γ: 90°
• Cell volume: 2403.26 ± 0.11 ų
• Cell temperature: 293.06 ± 0.1 K
• Ambient diffraction temperature: 293.06 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1633
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No