Information card for entry 7232151

Structure parameters

• Formula: C24 H26 N2 O8 S
• Calculated formula: C24 H26 N2 O8 S
• Title of publication: Phosphine-Promoted [4 + 3] Annulation of Allenoate with Aziridines for Synthesis of Tetrahydroazepines: Phosphine-Dependent [3 + 3] and [4 + 3] Pathways.
• Authors of publication: Liu, Honglei; Lin, Yan; Zhao, Yan; Xiao, Miaoren; Zhou, Leijie; Wang, Qijun; Zhang, Cheng; Wang, Dongqi; Kwon, Ohyun; Guo, Hongchao
• Journal of publication: RSC advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 1214 - 1221
• a: 10.136 ± 0.003 Å
• b: 10.925 ± 0.003 Å
• c: 11.309 ± 0.003 Å
• α: 104.454 ± 0.003°
• β: 109.13 ± 0.003°
• γ: 91.112 ± 0.004°
• Cell volume: 1138.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No