Information card for entry 7131496

Structure parameters

• Formula: C34 H29 N O6 S
• Calculated formula: C34 H29 N O6 S
• Title of publication: Palladium-catalyzed intramolecular oxypalladation-initiated cascade: solvent-dependent chemodivergent approach to functionalized benzazepines and tetrahydroquinolines.
• Authors of publication: Gupta, Anish; Jandial, Tanvi; Karuppasamy, Muthu; Bhuvanesh, Nattamai; Nagarajan, Subbiah; Maheswari, C. Uma; Sridharan, Vellaisamy
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 35
• Pages of publication: 5233 - 5236
• a: 10.5669 ± 0.0006 Å
• b: 11.3682 ± 0.0006 Å
• c: 11.9934 ± 0.0006 Å
• α: 90.682 ± 0.002°
• β: 99.416 ± 0.002°
• γ: 97.172 ± 0.002°
• Cell volume: 1409.43 ± 0.13 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.0642
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No