Information card for entry 7703447

Structure parameters

• Formula: C13 H20 F3 N3 O3 S
• Calculated formula: C13 H20 F3 N3 O3 S
• Title of publication: Brønsted and Lewis acid adducts of triazenes.
• Authors of publication: Landman, Iris R.; Suleymanov, Abdusalom A.; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Chadwick, F. Mark; Severin, Kay
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 7
• Pages of publication: 2317 - 2322
• a: 8.0352 ± 0.0003 Å
• b: 25.0842 ± 0.0006 Å
• c: 8.619 ± 0.0003 Å
• α: 90°
• β: 94.1 ± 0.003°
• γ: 90°
• Cell volume: 1732.77 ± 0.1 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No