Information card for entry 7134504

Structure parameters

• Formula: C18 H14 Cl N O
• Calculated formula: C18 H14 Cl N O
• Title of publication: An [(IPr)AuCl]-catalyzed formal [4+2] process of N-Ar N,O-acetals with arylacetylenes for the construction of pyrrolo[1,2-a]quinolines
• Authors of publication: Li, Xin; Liu, Nai-Xuan; Sun, Jian-Ting; Nie, Xiao-Di; Si, Chang-Mei; Wei, Bang-Guo
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 46
• Pages of publication: 8411 - 8414
• a: 9.888 ± 0.0003 Å
• b: 11.0027 ± 0.0003 Å
• c: 13.3415 ± 0.0004 Å
• α: 90°
• β: 101.844 ± 0.001°
• γ: 90°
• Cell volume: 1420.58 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0402
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No