Information card for entry 7123565

Structure parameters

• Formula: C28 H15 Br2 N O
• Calculated formula: C28 H15 Br2 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: 9.3487 ± 0.0004 Å
• b: 14.9382 ± 0.0007 Å
• c: 31.3522 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4378.4 ± 0.3 ų
• Cell temperature: 293.27 ± 0.13 K
• Ambient diffraction temperature: 293.27 ± 0.13 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.2021
• Weighted residual factors for all reflections included in the refinement: 0.2194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No