Information card for entry 7123561

Structure parameters

• Formula: C29 H21 F N2
• Calculated formula: C29 H21 F N2
• Title of publication: Cascade intramolecular imidoylation and C−H activation/annulat-ion of benzimidoyl chlorides with alkynes: one-pot synthesis of 7H-dibenzo[de,h]quinoline analogues
• Authors of publication: Liu, Jiao; Fang, Hao; Cheng, Rui; Wang, Zhishuo; Yang, Yudong; You, Jingsong
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 7.0309 ± 0.0005 Å
• b: 11.6771 ± 0.0007 Å
• c: 13.3907 ± 0.0007 Å
• α: 80.602 ± 0.005°
• β: 83.475 ± 0.005°
• γ: 88.358 ± 0.005°
• Cell volume: 1077.54 ± 0.12 ų
• Cell temperature: 294.1 ± 0.6 K
• Ambient diffraction temperature: 294.1 ± 0.6 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0957
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.2139
• Weighted residual factors for all reflections included in the refinement: 0.2441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No