Information card for entry 7133364

Structure parameters

• Formula: C25 H19 N O3
• Calculated formula: C25 H19 N O3
• Title of publication: Pd-Catalyzed cascade Heck cyclization/carbonylation of indoles with aryl formates: enantioselective construction of indolo[2,1-<i>a</i>]isoquinolines.
• Authors of publication: Chi, Dongmei; Qi, Hongbo; Wang, Leming; Chen, Shufeng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 65
• Pages of publication: 8613 - 8616
• a: 11.828 ± 0.0009 Å
• b: 14.9837 ± 0.0009 Å
• c: 11.0984 ± 0.0009 Å
• α: 90°
• β: 106.25 ± 0.008°
• γ: 90°
• Cell volume: 1888.4 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No