Information card for entry 7122405

Structure parameters

• Formula: C26 H17 F2 N O2
• Calculated formula: C26 H17 F2 N O2
• Title of publication: Molecular iodine-mediated formal [2+1+1+1] cycloaddition access to pyrrolo[2,1-a]isoquinolines with DMSO as the methylene source.
• Authors of publication: Zheng, Kailu; Zhuang, Shiyi; Shu, Wenming; Wu, Yandong; Yang, Chuluo; Wu, Anxin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 84
• Pages of publication: 11897 - 11900
• a: 8.821 ± 0.003 Å
• b: 11.239 ± 0.004 Å
• c: 11.41 ± 0.004 Å
• α: 81.907 ± 0.005°
• β: 70.268 ± 0.005°
• γ: 69.729 ± 0.005°
• Cell volume: 998.4 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0735
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1776
• Weighted residual factors for all reflections included in the refinement: 0.2073
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No