Information card for entry 7131388

Structure parameters

• Formula: C40 H26 F3 N6
• Calculated formula: C40 H26 F3 N6
• 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: 9.2476 ± 0.0006 Å
• b: 10.8175 ± 0.0008 Å
• c: 18.2214 ± 0.001 Å
• α: 101.258 ± 0.005°
• β: 93.429 ± 0.005°
• γ: 112.966 ± 0.007°
• Cell volume: 1627.2 ± 0.2 ų
• Cell temperature: 104 ± 0.4 K
• Ambient diffraction temperature: 104 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1842
• Residual factor for significantly intense reflections: 0.1384
• Weighted residual factors for significantly intense reflections: 0.3917
• Weighted residual factors for all reflections included in the refinement: 0.4354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No