Information card for entry 4025229

Structure parameters

• Formula: C46 H38 B F24 N4
• Calculated formula: C46 H38 B F24 N4
• 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: 10.0811 ± 0.0014 Å
• b: 11.002 ± 0.002 Å
• c: 22.144 ± 0.004 Å
• α: 84.315 ± 0.003°
• β: 85.095 ± 0.005°
• γ: 78.11 ± 0.005°
• Cell volume: 2386.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0831
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No