Information card for entry 1552855

Structure parameters

• Formula: C24 H32 N2 O3 S Si
• Calculated formula: C24 H32 N2 O3 S Si
• SMILES: S(=O)(=O)(Nc1cccc2cccnc12)c1c(cc(OC)cc1)C([Si](CC)(CC)CC)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: 14.4384 Å
• b: 16.0496 Å
• c: 20.713 Å
• α: 90°
• β: 96.573°
• γ: 90°
• Cell volume: 4768.29 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: 0.0502
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No