Information card for entry 7160640

Structure parameters

• Formula: C22 H17 N5
• Calculated formula: C22 H17 N5
• Title of publication: N²-site-selective cross-couplings of tetrazoles with indoles.
• Authors of publication: Zhang, Hui; Tian, Lifang; Li, Qinying; Zheng, Hanwen; Dai, Yuting; Li, Jiawei; Liu, Guanglu; Zhu, Li-Li; Wang, Yahui
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 31
• Pages of publication: 7270 - 7274
• a: 5.523 ± 0.0002 Å
• b: 9.1066 ± 0.0004 Å
• c: 9.1781 ± 0.0004 Å
• α: 105.551 ± 0.004°
• β: 94.197 ± 0.004°
• γ: 100.884 ± 0.004°
• Cell volume: 432.96 ± 0.03 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No