Information card for entry 7122325

Structure parameters

• Formula: C13 H17 N5
• Calculated formula: C13 H17 N5
• Title of publication: Transition-metal-free multinitrogenation of amides by C-C bond cleavage: a new approach to tetrazoles.
• Authors of publication: Li, Lian-Hua; Niu, Zhi-Jie; Li, Ying-Xiu; Liang, Yong-Min
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 79
• Pages of publication: 11148 - 11151
• a: 20.97 ± 0.002 Å
• b: 7.2564 ± 0.0006 Å
• c: 17.3888 ± 0.0017 Å
• α: 90°
• β: 106.224 ± 0.01°
• γ: 90°
• Cell volume: 2540.6 ± 0.4 ų
• Cell temperature: 290.04 ± 0.1 K
• Ambient diffraction temperature: 290.04 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No