Information card for entry 7123690

Structure parameters

• Formula: C18 H15 N O2
• Calculated formula: C18 H15 N O2
• Title of publication: Selective C-H Acylation of Indoles with α-Oxocarboxylic Acids at the C4-Position by Palladium Catalysis
• Authors of publication: Zhang, Jitan; Wu, Manyi; Fan, Jian; Xu, Qiaoqiao; Xie, Meihua
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 12.666 ± 0.003 Å
• b: 9.559 ± 0.002 Å
• c: 11.733 ± 0.002 Å
• α: 90 ± 0.03°
• β: 90 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 1420.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No