Information card for entry 4025234

Structure parameters

• Formula: C22 H34 N4 O4
• Calculated formula: C22 H34 N4 O4
• SMILES: c1(N2CCOCC2)cc(c(cc1N1CCOCC1)N1CCOCC1)N1CCOCC1
• 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: 7.99 ± 0.003 Å
• b: 6.322 ± 0.002 Å
• c: 20.989 ± 0.008 Å
• α: 90°
• β: 92.353 ± 0.006°
• γ: 90°
• Cell volume: 1059.3 ± 0.7 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.2007
• Weighted residual factors for all reflections included in the refinement: 0.2048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No