Information card for entry 7244591

Structure parameters

• Formula: C19 H19 N O2
• Calculated formula: C19 H19 N O2
• SMILES: O=C(OCC)c1c(c2c(n(cc2)C)c(c1)c1ccccc1)C
• Title of publication: Synthesis of indoles and carbazoles from a lignin model compound α-hydroxyacetophenone
• Authors of publication: Chen, Zhiyan; Huang, Wenbo; Yi, Liqi; Dong, Xiaohan; Sheng, Keyan; Li, Minghao; Bai, Rongxian; Sidorenko, A. Yu.; Huang, Jiang; Gu, Yanlong
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 7
• Pages of publication: 2919 - 2926
• a: 7.9813 ± 0.0006 Å
• b: 11.4019 ± 0.001 Å
• c: 17.8408 ± 0.0008 Å
• α: 92.73 ± 0.005°
• β: 90.852 ± 0.005°
• γ: 108.525 ± 0.007°
• Cell volume: 1536.9 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1128
• Residual factor for significantly intense reflections: 0.1046
• Weighted residual factors for significantly intense reflections: 0.3058
• Weighted residual factors for all reflections included in the refinement: 0.313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No