Information card for entry 7131387

Structure parameters

• Formula: C60.5 H40 Cl F6 N9
• Calculated formula: C60.5 H40 Cl F6 N9
• Title of publication: "Super stable" Blatter radicals through ArLi addition: surprising chemistry of 7-(trifluoromethyl)benzo[<i>e</i>][1,2,4]triazine.
• Authors of publication: Obijalska, Emilia; Pietrzak, Anna; Constantinides, Christos P.; Sommer, Roger D.; Kaszyński, Piotr
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 27
• Pages of publication: 4008 - 4011
• a: 14.4385 ± 0.0006 Å
• b: 28.0905 ± 0.001 Å
• c: 28.302 ± 0.0011 Å
• α: 90°
• β: 104.453 ± 0.002°
• γ: 90°
• Cell volume: 11115.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1046
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.2252
• Weighted residual factors for all reflections included in the refinement: 0.2388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No