Information card for entry 7063735

Structure parameters

• Formula: C38 H40 N2 O3
• Calculated formula: C38 H40 N2 O3
• Title of publication: Solvent- and temperature-controlled diastereodivergent [4+2] cyclization of p-QMs and 4-benzylidene-pyrazolones
• Authors of publication: Xiang, Min; Lu, Lin-Mu; Feng, Guang-Yuan; Zhu, Shen-Xin; Luo, Si-Si; Wang, Guang-Wei; Jia, Yun-Qing; Shen, Li-Wen
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 18
• Pages of publication: 7293 - 7296
• a: 10.2412 ± 0.00014 Å
• b: 15.3376 ± 0.0002 Å
• c: 20.8758 ± 0.0003 Å
• α: 90°
• β: 90.2665 ± 0.0012°
• γ: 90°
• Cell volume: 3279.04 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No