Information card for entry 7119916

Structure parameters

• Formula: C16 H17 N O2 S2
• Calculated formula: C16 H17 N O2 S2
• Title of publication: Dual-role of PtCl2 Catalysis in the Intramolecular Cyclization of (Hetero)Aryl-Allenes for the Facile Construction of Substituted 2,3-Dihydropyrroles and Polyheterocyclic Skeletons
• Authors of publication: Zhang, Yan-Yan; Wei, Yin; Tang, Xiang-Ying; Shi, Min
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 16.677 ± 0.004 Å
• b: 8.1292 ± 0.0016 Å
• c: 11.693 ± 0.002 Å
• α: 90°
• β: 98.956 ± 0.004°
• γ: 90°
• Cell volume: 1565.9 ± 0.6 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: 0.0899
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.2027
• Weighted residual factors for all reflections included in the refinement: 0.2216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No