Information card for entry 7133856

Structure parameters

• Formula: C34 H22 N4
• Calculated formula: C34 H22 N4
• Title of publication: Chelation-assisted and steric-controlled selectivity in the Pd-catalyzed C−H/C−H oxidative coupling of indoles
• Authors of publication: Vijaykumar, Muniyappa; Pradhan, Chandini; Gonnade, Rajesh G.; Punji, Benudhar
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 12.5223 ± 0.0008 Å
• b: 12.3066 ± 0.0007 Å
• c: 15.2608 ± 0.001 Å
• α: 90°
• β: 90.707 ± 0.002°
• γ: 90°
• Cell volume: 2351.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0955
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No