Information card for entry 4513808

Structure parameters

• Formula: C14 H17 N O3 S
• Calculated formula: C14 H17 N O3 S
• SMILES: C1(=O)CCCCC(=C)N1S(=O)(=O)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: 6.1084 ± 0.0005 Å
• b: 14.9045 ± 0.0014 Å
• c: 15.5068 ± 0.0014 Å
• α: 85.229 ± 0.004°
• β: 81.551 ± 0.003°
• γ: 83.644 ± 0.004°
• Cell volume: 1384.7 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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: 0.0538
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No