Information card for entry 4513811

Structure parameters

• Formula: C22 H17 N O3 S
• Calculated formula: C22 H17 N O3 S
• SMILES: S(=O)(=O)(n1c(=O)c2ccccc2cc1c1ccccc1)c1ccc(cc1)C
• Title of publication: Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams
• Authors of publication: Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier
• Journal of publication: ACS Catalysis
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 3
• Pages of publication: 1565
• a: 10.3225 ± 0.0007 Å
• b: 20.9863 ± 0.0017 Å
• c: 16.6431 ± 0.0014 Å
• α: 90°
• β: 95.815 ± 0.004°
• γ: 90°
• Cell volume: 3586.9 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.1286
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No