Information card for entry 7107299

Structure parameters

• Formula: C22 H23 N O7 S
• Calculated formula: C22 H23 N O7 S
• SMILES: S(=O)(=O)(N1C(c2ccccc2C1=O)(CC(=O)OCC)C(=O)OCC)c1ccc(cc1)C
• Title of publication: Rhodium Catalyzed C-H Olefination of N-Benzoylsulfonamide with Internal Alkenes
• Authors of publication: Chen Zhu; John R. Falck
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Pages of publication: 1674
• a: 14.754 ± 0.002 Å
• b: 8.5111 ± 0.0012 Å
• c: 17.209 ± 0.002 Å
• α: 90°
• β: 106.714 ± 0.004°
• γ: 90°
• Cell volume: 2069.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0436
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No