Information card for entry 4033991

Structure parameters

• Formula: C23 H17 N3
• Calculated formula: C23 H17 N3
• SMILES: n12c(nc3c2nc(c(c3)c2ccccc2)c2ccccc2)cc(cc1)C
• Title of publication: Diversity-Oriented Synthesis of Imidazo-Dipyridines with Anticancer Activity via the Groebke-Blackburn-Bienaymé and TBAB-Mediated Cascade Reaction in One Pot.
• Authors of publication: Li, Yong; Huang, Jiu-Hong; Wang, Juan-Li; Song, Gui-Ting; Tang, Dian-Yong; Yao, Fang; Lin, Hui-Kuan; Yan, Wei; Li, Hong-Yu; Xu, Zhi-Gang; Chen, Zhong-Zhu
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 19
• Pages of publication: 12632 - 12638
• a: 8.8801 ± 0.0004 Å
• b: 10.4479 ± 0.0005 Å
• c: 19.147 ± 0.001 Å
• α: 90°
• β: 91.163 ± 0.004°
• γ: 90°
• Cell volume: 1776.06 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No