Information card for entry 7158518

Structure parameters

• Formula: C3.58 H3.58 N0.21 O0.42 S0.21
• Calculated formula: C3.57895 H3.57895 N0.210526 O0.421053 S0.210526
• Title of publication: Diversity-oriented and diastereoselective synthesis of diverse polycyclic thieno(2,3-<i>b</i>)-quinoline derivatives using a synergistic strategy.
• Authors of publication: Yao, Wen-Bo; Xie, Xuan-Sheng; Liu, Jun-Nan; Xie, Jian-Wu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 9
• Pages of publication: 1982 - 1993
• a: 12.5624 ± 0.0003 Å
• b: 11.3761 ± 0.0002 Å
• c: 10.369 ± 0.0002 Å
• α: 90°
• β: 99.523 ± 0.001°
• γ: 90°
• Cell volume: 1461.42 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0569
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No