Information card for entry 2215950

Structure parameters

• Chemical name: 4-(4-Aminophenoxy)anilinium 2-hydroxy-2,2-diphenylacetate
• Formula: C26 H24 N2 O4
• Calculated formula: C26 H24 N2 O4
• SMILES: C(=O)(C(c1ccccc1)(c1ccccc1)O)[O-].c1(ccc(cc1)N)Oc1ccc(cc1)[NH3+]
• Title of publication: 4-(4-Aminophenoxy)anilinium 2-hydroxy-2,2-diphenylacetate
• Authors of publication: Han, Qiuxia; Li, Jie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4380 - o4380
• a: 14.619 ± 0.006 Å
• b: 6.442 ± 0.003 Å
• c: 24.938 ± 0.01 Å
• α: 90°
• β: 105.499 ± 0.007°
• γ: 90°
• Cell volume: 2263.1 ± 1.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1332
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1539
• Goodness-of-fit parameter for all reflections included in the refinement: 0.838
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes