Information card for entry 2226782

Structure parameters

• Chemical name: Propane-1,3-diyl bis(4-aminobenzoate)
• Formula: C17 H18 N2 O4
• Calculated formula: C17 H18 N2 O4
• Title of publication: Propane-1,3-diyl bis(4-aminobenzoate)
• Authors of publication: Raza Shah, Muhammad; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o1940
• a: 23.725 ± 0.005 Å
• b: 4.5109 ± 0.0009 Å
• c: 8.2171 ± 0.0017 Å
• α: 90°
• β: 107.173 ± 0.003°
• γ: 90°
• Cell volume: 840.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes