Information card for entry 7156473

Structure parameters

• Formula: C18 H16 Br N O
• Calculated formula: C18 H16 Br N O
• Title of publication: New Friedel-Crafts strategy for preparing 3-acylindoles.
• Authors of publication: Li, Lian-Hua; Niu, Zhi-Jie; Liang, Yong-Min
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 42
• Pages of publication: 7792 - 7796
• a: 8.4795 ± 0.0003 Å
• b: 11.3762 ± 0.0004 Å
• c: 16.221 ± 0.0005 Å
• α: 90°
• β: 92.399 ± 0.003°
• γ: 90°
• Cell volume: 1563.38 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0518
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No