Information card for entry 7128347

Structure parameters

• Formula: C20 H21 N5
• Calculated formula: C20 H21 N5
• Title of publication: Constructing fused N-heterocycles from unprotected mesoionic N-heterocyclic olefins and organic azides <i>via</i> diazo transfer.
• Authors of publication: Liang, Qiuming; Hayashi, Kasumi; Zeng, Yimin; Jimenez-Santiago, Jose L; Song, Datong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 50
• Pages of publication: 6137 - 6140
• a: 6.858 ± 0.002 Å
• b: 15.868 ± 0.005 Å
• c: 17.842 ± 0.005 Å
• α: 66.888 ± 0.009°
• β: 89.896 ± 0.01°
• γ: 82.855 ± 0.01°
• Cell volume: 1769.6 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1381
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1696
• Weighted residual factors for all reflections included in the refinement: 0.1983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No