Information card for entry 7124029

Structure parameters

• Formula: C38 H33 N3 O4 S
• Calculated formula: C38 H33 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: 9.6639 ± 0.0006 Å
• b: 9.6973 ± 0.0007 Å
• c: 23.2323 ± 0.0013 Å
• α: 80.701 ± 0.005°
• β: 89.806 ± 0.005°
• γ: 67.529 ± 0.006°
• Cell volume: 1981.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.0973
• Residual factor for significantly intense reflections: 0.0833
• Weighted residual factors for significantly intense reflections: 0.2304
• Weighted residual factors for all reflections included in the refinement: 0.2404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No