Information card for entry 7156984

Structure parameters

• Formula: C20 H20 N4
• Calculated formula: C20 H20 N4
• Title of publication: Bimetallic Cu/Pd-catalyzed three-component azide-alkyne cycloaddition/isocyanide insertion: synthesis of fully decorated tricyclic triazoles.
• Authors of publication: Shiva Kumar, K.; Naikawadi, Praveen Kumar; Jatoth, Ramanna; Dandela, Rambabu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 31
• Pages of publication: 7320 - 7324
• a: 9.0962 ± 0.0005 Å
• b: 10.1454 ± 0.0006 Å
• c: 18.0969 ± 0.001 Å
• α: 90°
• β: 92.369 ± 0.002°
• γ: 90°
• Cell volume: 1668.64 ± 0.16 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: 0.0575
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No