Information card for entry 7244593

Structure parameters

• Formula: C18 H17 N O2
• Calculated formula: C18 H17 N O2
• SMILES: O(C(=O)c1c(c2n(ccc2c(c2ccccc2)c1)C)C)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: 11.7113 ± 0.0006 Å
• b: 9.8511 ± 0.0005 Å
• c: 25.285 ± 0.0014 Å
• α: 90°
• β: 97.144 ± 0.005°
• γ: 90°
• Cell volume: 2894.5 ± 0.3 ų
• Cell temperature: 293.75 ± 0.1 K
• Ambient diffraction temperature: 293.75 ± 0.1 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: 0.0595
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No