Information card for entry 7231435

Structure parameters

• Formula: C34 H28 F3 N O5
• Calculated formula: C34 H28 F3 N O5
• Title of publication: Rh(iii)-catalyzed synthesis of tetracyclic isoquinolinium salts via C‒H activation and [4+2] annulation of 1-phenyl-3,4-dihydroisoquinolines and alkynes in ethanol
• Authors of publication: Dang, Xinxin; He, Yu; Liu, Yingtian; Chen, Xuehong; Li, Jun-Long; Zhou, Xian-Li; Jiang, Hezhong; Li, Jiahong
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 52
• Pages of publication: 30050
• a: 10.8707 ± 0.0006 Å
• b: 12.3194 ± 0.0007 Å
• c: 13.1341 ± 0.0008 Å
• α: 87.958 ± 0.005°
• β: 74.654 ± 0.005°
• γ: 70.533 ± 0.005°
• Cell volume: 1596.57 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0952
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.187
• Weighted residual factors for all reflections included in the refinement: 0.2164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No