Information card for entry 7247121

Structure parameters

• Formula: C21 H12 F6 N3
• Calculated formula: C21 H12 F6 N3
• SMILES: FC(F)(F)c1c(N2c3cc(ccc3N=C(c3ccccc3)[N]2)C(F)(F)F)cccc1
• Title of publication: Thermally induced dimensionality changes in derivatives of a "super stable" Blatter radical.
• Authors of publication: Camargo, Bruno; Zajcewa, Irina; Pietrzak, Anna; Obijalska, Emilia; Szczytko, Jacek; Kaszyński, Piotr
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 34
• Pages of publication: 22813 - 22818
• a: 7.9593 ± 0.0002 Å
• b: 9.5462 ± 0.0002 Å
• c: 13.0766 ± 0.0003 Å
• α: 87.499 ± 0.003°
• β: 78.856 ± 0.002°
• γ: 66.872 ± 0.001°
• Cell volume: 895.92 ± 0.04 ų
• Cell temperature: 99.9 ± 0.4 K
• Ambient diffraction temperature: 99.9 ± 0.4 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: 0.0359
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No