Information card for entry 7230286

Structure parameters

• Formula: C25 H19 Cl3 N2
• Calculated formula: C25 H19 Cl3 N2
• Title of publication: Transition-metal-free C‒N and C‒C formation: synthesis of benzo[4,5]imidazo[1,2-a]pyridines and 2-pyridones from ynones
• Authors of publication: Teng, Qing-Hu; Peng, Xiang-Jun; Mo, Zu-Yu; Xu, Yan-Li; Tang, Hai-Tao; Wang, Heng-Shan; Sun, Hong-Bin; Pan, Ying-Ming
• Journal of publication: Green Chemistry
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 9
• Pages of publication: 2007
• a: 10.6279 ± 0.001 Å
• b: 15.8991 ± 0.001 Å
• c: 13.4801 ± 0.001 Å
• α: 90°
• β: 100.33 ± 0.009°
• γ: 90°
• Cell volume: 2240.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1164
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.2101
• Weighted residual factors for all reflections included in the refinement: 0.2443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No