Information card for entry 7160957

Structure parameters

• Formula: C32 H26 Br N4 O3 S
• Calculated formula: C32 H26 Br N4 O3 S
• Title of publication: Diastereoselective construction of spiro-cyclopropyl-pyrazoles <i>via</i> a [2 + 1] annulation reaction of iminoindoline-derived alkenes and 4-bromo-pyrazolones.
• Authors of publication: Hu, Dan; Yin, Heng; Li, Fuyu; He, Jiao; Deng, Chenlong; Liu, Lixia; Xia, Wen; Li, Yulong; Li, Chenyi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 5
• Pages of publication: 1063 - 1068
• a: 11.1261 ± 0.0004 Å
• b: 12.1877 ± 0.0004 Å
• c: 24.0151 ± 0.0008 Å
• α: 84.653 ± 0.001°
• β: 78.813 ± 0.001°
• γ: 78.216 ± 0.001°
• Cell volume: 3122.41 ± 0.18 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 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: 0.1189
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.2164
• Weighted residual factors for all reflections included in the refinement: 0.2521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No