Information card for entry 7160485

Structure parameters

• Formula: C33 H29 N2 O4 P
• Calculated formula: C33 H29 N2 O4 P
• 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: 9.7645 ± 0.0002 Å
• b: 35.2767 ± 0.0006 Å
• c: 8.4612 ± 0.0001 Å
• α: 90°
• β: 108.393 ± 0.001°
• γ: 90°
• Cell volume: 2765.65 ± 0.08 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.0403
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No