Information card for entry 7131953

Structure parameters

• Formula: C33 H26 N4 O2
• Calculated formula: C33 H26 N4 O2
• SMILES: O=C1N(c2ccccc2[C@]21N(c1ccccc1)C(=O)[C@@]2(n1nccc1C)c1ccccc1)Cc1ccccc1.O=C1N(c2ccccc2[C@@]21N(c1ccccc1)C(=O)[C@]2(n1nccc1C)c1ccccc1)Cc1ccccc1
• Title of publication: Silver-Catalyzed Pyrazole Migration and Cycloaddition Reaction of Diazo Pyrazoleamides with Ketimines
• Authors of publication: Shi, Maoqing; Niu, Gejun; Zhang, Tianyuan; Xu, Aimin; Zheng, Rimei; yusuf, abdulla; Shi, Taoda; Hu, Wenhao; Qian, Yu
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 13.1778 ± 0.0004 Å
• b: 14.3635 ± 0.0004 Å
• c: 13.5804 ± 0.0004 Å
• α: 90°
• β: 96.473 ± 0.003°
• γ: 90°
• Cell volume: 2554.1 ± 0.13 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 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: 0.0653
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.1628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No