Information card for entry 1552856

Structure parameters

• Formula: C38 H36 N4 O12 Rh2 S2
• Calculated formula: C38 H36 N4 O12 Rh2 S2
• SMILES: c1(ccccc1)S(=O)(=O)N1c2cccc3c2[n](ccc3)[Rh]231([O]=C(C)O[Rh]13(N(c3cccc4c3[n]1ccc4)S(=O)(=O)c1ccccc1)([O]=C(O2)C)[O]=C(O)C)[O]=C(O)C
• Title of publication: Rh(ii)-catalyzed branch-selective C-H alkylation of aryl sulfonamides with vinylsilanes.
• Authors of publication: Rej, Supriya; Chatani, Naoto
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 2
• Pages of publication: 389 - 395
• a: 17.4067 ± 0.001 Å
• b: 10.6112 ± 0.001 Å
• c: 22.164 ± 0.002 Å
• α: 90°
• β: 98.333 ± 0.007°
• γ: 90°
• Cell volume: 4050.6 ± 0.6 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1132
• Residual factor for significantly intense reflections: 0.0897
• Weighted residual factors for significantly intense reflections: 0.2399
• Weighted residual factors for all reflections included in the refinement: 0.2618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No