Information card for entry 4025227

Structure parameters

• Formula: C14 H24 F2 N4
• Calculated formula: C14 H24 F2 N4
• SMILES: c1(F)c(c(c(c(c1N(C)C)N(C)C)F)N(C)C)N(C)C
• Title of publication: On the Causes of Potential Inversion in 1,2,4,5-Tetrakis(amino)benzenes
• Authors of publication: Christopher J. Adams; Rosenildo C. da Costa; Ruth Edge; Dennis H. Evans; Matthew F. Hood
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 1168 - 1178
• a: 5.6689 ± 0.0003 Å
• b: 16.693 ± 0.0008 Å
• c: 8.1306 ± 0.0004 Å
• α: 90°
• β: 100.449 ± 0.002°
• γ: 90°
• Cell volume: 756.65 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0469
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No