Information card for entry 7131954

Structure parameters

• Formula: C34 H28 N4 O2
• Calculated formula: C34 H28 N4 O2
• SMILES: O=C1N(c2c(cccc2)[C@]21N(c1ccccc1)C(=O)[C@@]2(n1nc(cc1C)C)c1ccccc1)Cc1ccccc1.O=C1N(c2c([C@@]31N(c1ccccc1)C(=O)[C@]3(n1nc(cc1C)C)c1ccccc1)cccc2)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: 16.8499 ± 0.0001 Å
• b: 16.0418 ± 0.0001 Å
• c: 19.5299 ± 0.0001 Å
• α: 90°
• β: 90.45 ± 0.001°
• γ: 90°
• Cell volume: 5278.82 ± 0.05 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No