Information card for entry 7157191

Structure parameters

• Formula: C26 H26 Br N3 O3
• Calculated formula: C26 H26 Br N3 O3
• Title of publication: A rhodium-catalysed three-component reaction to access C1-substituted tetrahydroisoquinolines
• Authors of publication: Zhang, Dan; Liu, Junwen; Kang, Zhenghui; Qiu, Huang; Hu, Wenhao
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2019
• a: 14.9877 ± 0.0002 Å
• b: 8.495 ± 0.0001 Å
• c: 19.3047 ± 0.0003 Å
• α: 90°
• β: 111.38 ± 0.002°
• γ: 90°
• Cell volume: 2288.74 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0483
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No