Information card for entry 7118421

Structure parameters

• Formula: C17 H13 Cl2 N O
• Calculated formula: C17 H13 Cl2 N O
• SMILES: Clc1ccc(c2c3ccccc3[nH]c(=O)c2CCCl)cc1
• Title of publication: Thermally induced formal [3+2] cyclization of ortho-aminoaryl-tethered alkylidenecyclopropanes: facile synthesis of furoquinoline and thienoquinoline derivatives.
• Authors of publication: Yu, Liu-Zhu; Hu, Xu-Bo; Xu, Qin; Shi, Min
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 13
• Pages of publication: 2701 - 2704
• a: 7.7899 ± 0.0017 Å
• b: 9.516 ± 0.002 Å
• c: 11.134 ± 0.002 Å
• α: 99.138 ± 0.005°
• β: 97.433 ± 0.005°
• γ: 109.903 ± 0.005°
• Cell volume: 751.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0853
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No