Information card for entry 7223219

Structure parameters

• Formula: C19 H13 Cl N2 O
• Calculated formula: C19 H13 Cl N2 O
• SMILES: Clc1c(C2=CC(=O)C3(N2C=CC=C3)c2ncccc2)cccc1
• Title of publication: Copper-catalyzed domino reaction to construct functionalized indolizinones
• Authors of publication: Wang, Li-Xia; hu, benquan; shen, gang; Tang, Yalin; Yang, Luo
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 7.4 ± 0.003 Å
• b: 10.351 ± 0.003 Å
• c: 11.137 ± 0.004 Å
• α: 63.632 ± 0.009°
• β: 84.599 ± 0.015°
• γ: 80.315 ± 0.016°
• Cell volume: 753.2 ± 0.5 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.2141
• Weighted residual factors for all reflections included in the refinement: 0.2158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.788
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No