Information card for entry 7160990

Structure parameters

• Formula: C77 H66 Br2 N8 O6 S2
• Calculated formula: C77.444 H66.11 Br2 N8 O6.444 S2
• Title of publication: Chemo- and diastereoselective synthesis of spiro-iminoindoline-pyrazolines as potential antioxidant reagents.
• Authors of publication: Tian, Yuan-Hang; Yang, Qi-Chun; Liu, Yu-Xuan; Qin, Peng; Li, Jun-Long; Wu, Yi-Qi; Zeng, Rong; Zhang, Dong-Ming; Zhang, Xiang; Leng, Hai-Jun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 7
• Pages of publication: 1488 - 1495
• a: 8.4871 ± 0.0019 Å
• b: 12.362 ± 0.003 Å
• c: 17.148 ± 0.004 Å
• α: 90.504 ± 0.009°
• β: 97.493 ± 0.01°
• γ: 103.217 ± 0.009°
• Cell volume: 1735.1 ± 0.7 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.1831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No