Information card for entry 4031318

Structure parameters

• Formula: C28 H20 N2
• Calculated formula: C28 H20 N2
• SMILES: c1cc(cc2c1c1c(c(c2c2ccccc2)c2ccccc2)n2c(cccc2)n1)C
• Title of publication: Synthesis of Naphtho[1',2':4,5]imidazo[1,2-a]pyridines and Imidazo[5,1,2-cd]indolizines Through Pd-Catalyzed Cycloaromatization of 2-Phenylimidazo[1,2-a]pyridines with Alkynes.
• Authors of publication: Li, Peiyuan; Zhang, Xinying; Fan, Xuesen
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 15
• Pages of publication: 7508 - 7518
• a: 10.5565 ± 0.0016 Å
• b: 9.6319 ± 0.0015 Å
• c: 20.534 ± 0.003 Å
• α: 90°
• β: 100.558 ± 0.003°
• γ: 90°
• Cell volume: 2052.5 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1096
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No