Information card for entry 7133862

Structure parameters

• Formula: C33 H28 N4 O3
• Calculated formula: C33 H28 N4 O3
• 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: 13.2208 ± 0.0006 Å
• b: 16.2811 ± 0.0008 Å
• c: 13.317 ± 0.0007 Å
• α: 90°
• β: 115.094 ± 0.002°
• γ: 90°
• Cell volume: 2595.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0588
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No