Information card for entry 1576946

Structure parameters

• Formula: C15 H15 F5 N2 S
• Calculated formula: C15 H15 F5 N2 S
• Title of publication: Bidirectional skeletal remodelling of SF 5 -nitrobenzenes into azepine, bicyclic, and benzimidazole frameworks
• Authors of publication: Bacho, Muhamad Zulfaqar; Wu, Shiwei; Muramatsu, Takuya; Nagababu, Chavakula; Harano, Daiki; Ochiai, Seishu; Shibata, Norio
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 28.614 ± 0.003 Å
• b: 8.9784 ± 0.001 Å
• c: 11.6868 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3002.4 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1295
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.2374
• Weighted residual factors for all reflections included in the refinement: 0.316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No