Information card for entry 7124028

Structure parameters

• Formula: C39 H34 Cl2 F N3 O4 S
• Calculated formula: C39 H32 Cl2.25 F N3 O4 S
• Title of publication: Facile access to highly functionalized hydroisoquinoline deriva-tives via phosphine-catalyzed sequential [3 + 3]/[3 + 3] annulation
• Authors of publication: Huang, You; Li, Ning; Jia, Penghao
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 12.067 ± 0.002 Å
• b: 12.25 ± 0.002 Å
• c: 13.571 ± 0.003 Å
• α: 76.39 ± 0.03°
• β: 80.68 ± 0.03°
• γ: 65.93 ± 0.03°
• Cell volume: 1775.3 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1075
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1808
• Weighted residual factors for all reflections included in the refinement: 0.2118
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No