Information card for entry 7133864

Structure parameters

• Formula: C34 H30 N4 O2
• Calculated formula: C34 H30 N4 O2
• 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: 17.7407 ± 0.0014 Å
• b: 11.1622 ± 0.001 Å
• c: 27.225 ± 0.002 Å
• α: 90°
• β: 90.328 ± 0.003°
• γ: 90°
• Cell volume: 5391.1 ± 0.8 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1354
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No