Information card for entry 7118039

Structure parameters

• Formula: C40 H28 F12 N16 O4
• Calculated formula: C40 H28 F12 N16 O4
• Title of publication: Silver-catalyzed regioselective [3+2] cycloaddition of arene-diazonium salts with 2,2,2-trifluorodiazoethane (CF3CHN2): a facile access to 2-aryl-5-trifluoromethyltetrazoles.
• Authors of publication: Chen, Zhen; Fan, Shuang-Qing; Zheng, Yan; Ma, Jun-An
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 92
• Pages of publication: 16545 - 16548
• a: 11.427 ± 0.007 Å
• b: 6.76 ± 0.004 Å
• c: 14.006 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1081.9 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1759
• Weighted residual factors for all reflections included in the refinement: 0.183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No