Information card for entry 2203428

Structure parameters

• Common name: 1,3-Bis(2'-carboxyphenylamine)propane
• Chemical name: 2,2'-(Propane-1,3-diimino)dibenzoic acid
• Formula: C17 H18 N2 O4
• Calculated formula: C17 H18 N2 O4
• Title of publication: 2,2'-(Propane-1,3-diimino)dibenzoic acid
• Authors of publication: Rabile, M. Mohamed; Huang, Huan; Ghosh, Dipesh; Van Horn, J. David; Powell, Doug R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: o494 - o496
• a: 11.9318 ± 0.0018 Å
• b: 14.152 ± 0.002 Å
• c: 9.0323 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1525.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes