Information card for entry 7158244

Structure parameters

• Formula: C17 H11 N5
• Calculated formula: C17 H11 N5
• Title of publication: Synthesis of blue light emitting heterocycles <i>via</i> cyclization of 2-pyridine derived 4-azido-r1,2,3-triazoles.
• Authors of publication: Tsyrenova, Biligma D.; Khrustalev, Victor N.; Nenajdenko, Valentine G.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 37
• Pages of publication: 8140 - 8152
• a: 6.0935 ± 0.0001 Å
• b: 9.7182 ± 0.0002 Å
• c: 22.0737 ± 0.0005 Å
• α: 90°
• β: 90.354 ± 0.001°
• γ: 90°
• Cell volume: 1307.13 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0685
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No