Information card for entry 7123563

Structure parameters

• Formula: C28 H19 N O
• Calculated formula: C28 H19 N O
• 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: 13.0456 ± 0.0008 Å
• b: 8.3661 ± 0.0004 Å
• c: 19.3519 ± 0.001 Å
• α: 90°
• β: 108.897 ± 0.006°
• γ: 90°
• Cell volume: 1998.2 ± 0.2 ų
• Cell temperature: 295.5 ± 0.11 K
• Ambient diffraction temperature: 295.5 ± 0.11 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: 0.0948
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.204
• Weighted residual factors for all reflections included in the refinement: 0.2282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No