Information card for entry 7158253

Structure parameters

• Formula: C23 H15 Cl N2
• Calculated formula: C23 H15 Cl N2
• SMILES: Clc1ccc(c2c3n(c(cc2)c2ccccc2)c2ccccc2n3)cc1
• Title of publication: Simple inorganic base promoted C-N and C-C formation: synthesis of benzo[4,5]imidazo[1,2-<i>a</i>]pyridines as functional AIEgens used for detecting picric acid.
• Authors of publication: Yang, Kai; Luo, Shi-He; Chen, Si-Hong; Cao, Xi-Ying; Zhou, Yong-Jun; Lin, Yan-Lan; Huo, Yan-Ping; Wang, Zhao-Yang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 37
• Pages of publication: 8133 - 8139
• a: 9.8768 ± 0.001 Å
• b: 9.9849 ± 0.0014 Å
• c: 10.2735 ± 0.0014 Å
• α: 106.386 ± 0.012°
• β: 91.697 ± 0.01°
• γ: 116.134 ± 0.012°
• Cell volume: 858.6 ± 0.2 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 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: 0.0975
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No