Information card for entry 7158520

Structure parameters

• Formula: C3.43 H2.29 N0.29 O0.71 S0.14
• Calculated formula: C3.42857 H2.28571 N0.285714 O0.714286 S0.142857
• 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: 8.2185 ± 0.0006 Å
• b: 15.6692 ± 0.0011 Å
• c: 16.9546 ± 0.0013 Å
• α: 90°
• β: 92.798 ± 0.004°
• γ: 90°
• Cell volume: 2180.8 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1065
• Residual factor for significantly intense reflections: 0.0899
• Weighted residual factors for significantly intense reflections: 0.2813
• Weighted residual factors for all reflections included in the refinement: 0.3095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No