Information card for entry 7133858

Structure parameters

• Formula: C38 H36 Cl2 N4 O3
• Calculated formula: C36 H32 Cl2 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 (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 89
• Pages of publication: 13028 - 13031
• a: 9.1994 ± 0.0003 Å
• b: 13.5661 ± 0.0005 Å
• c: 14.2548 ± 0.0005 Å
• α: 93.7 ± 0.001°
• β: 100.621 ± 0.001°
• γ: 107.105 ± 0.001°
• Cell volume: 1657.77 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0609
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No