Information card for entry 4038688

Structure parameters

• Formula: C20 H17 N S
• Calculated formula: C20 H17 N S
• Title of publication: Elemental Sulfur-Incorporated Cyclizations of Pyrrolidines Leading to Thienopyrroles.
• Authors of publication: Yue, Yuanyuan; Shao, Huibin; Wang, Zhixian; Wang, Ke; Wang, Le; Zhuo, Kelei; Liu, Jianming
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 13.4137 ± 0.0006 Å
• b: 5.9329 ± 0.0002 Å
• c: 20.1416 ± 0.0008 Å
• α: 90°
• β: 90.21 ± 0.004°
• γ: 90°
• Cell volume: 1602.9 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0604
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1081
• 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