Information card for entry 7157608

Structure parameters

• Formula: C90 H117 N3 O18 S3
• Calculated formula: C90 H117 N3 O18 S3
• Title of publication: Trisulfonamide calix[6]arene-catalysed Michael addition to nitroalkenes.
• Authors of publication: Cera, Gianpiero; Balestri, Davide; Bazzoni, Margherita; Marchiò, Luciano; Secchi, Andrea; Arduini, Arturo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 32
• Pages of publication: 6241 - 6246
• a: 15.542 ± 0.0006 Å
• b: 16.5195 ± 0.0006 Å
• c: 20.2175 ± 0.0007 Å
• α: 74.481 ± 0.002°
• β: 69.188 ± 0.002°
• γ: 67.602 ± 0.002°
• Cell volume: 4433.3 ± 0.3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1658
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No