Information card for entry 7123564

Structure parameters

• Formula: C29 H19 N O3
• Calculated formula: C29 H19 N O3
• 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: 13.1052 ± 0.0007 Å
• b: 11.9832 ± 0.0007 Å
• c: 13.6414 ± 0.0008 Å
• α: 90°
• β: 98.808 ± 0.006°
• γ: 90°
• Cell volume: 2117 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No