Information card for entry 7238896

Structure parameters

• Formula: C22 H14 F N5 O6
• Calculated formula: C22 H14 F N5 O6
• Title of publication: An improved iron-mediated synthesis of N-2-aryl substituted 1,2,3-triazoles
• Authors of publication: Kamal, Ahmed; Swapna, Ponnampalli
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 20
• Pages of publication: 7419
• a: 7.2369 ± 0.0007 Å
• b: 12.2218 ± 0.0012 Å
• c: 13.4418 ± 0.0013 Å
• α: 116.25 ± 0.01°
• β: 100.287 ± 0.008°
• γ: 95.328 ± 0.008°
• Cell volume: 1029.1 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No