Information card for entry 7160484

Structure parameters

• Formula: C25 H21 F N2 O3 S
• Calculated formula: C25 H21 F N2 O3 S
• Title of publication: Diastereoselective radical cascade cyclization to access indole-fused diazepine derivatives.
• Authors of publication: Wang, Yutong; Huang, Xiujuan; Chen, Jinglong; Xu, Jian; Song, Qiuling
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 18
• Pages of publication: 4349 - 4354
• a: 8.8308 ± 0.0003 Å
• b: 12.2131 ± 0.0004 Å
• c: 19.0148 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2050.77 ± 0.12 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0221
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No