Information card for entry 7247120

Structure parameters

• Formula: C21 H15 F3 N3 O
• Calculated formula: C21 H15 F3 N3 O
• 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: 4.5991 ± 0.0001 Å
• b: 10.1298 ± 0.0003 Å
• c: 19.1657 ± 0.0004 Å
• α: 79.202 ± 0.003°
• β: 83.246 ± 0.002°
• γ: 77.704 ± 0.001°
• Cell volume: 854.15 ± 0.04 ų
• Cell temperature: 99.9 ± 0.5 K
• Ambient diffraction temperature: 99.9 ± 0.5 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: 0.0399
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No