Information card for entry 2215943

Structure parameters

• Chemical name: 4-(4-Aminobenzyl)anilinium 2-hydroxy-2,2-diphenylacetate
• Formula: C27 H26 N2 O3
• Calculated formula: C27 H26 N2 O3
• SMILES: Nc1ccc(Cc2ccc([NH3+])cc2)cc1.O=C([O-])C(O)(c1ccccc1)c1ccccc1
• Title of publication: 4-(4-Aminobenzyl)anilinium 2-hydroxy-2,2-diphenylacetate
• Authors of publication: Li, Jie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4303 - o4303
• a: 13.336 ± 0.006 Å
• b: 6.477 ± 0.003 Å
• c: 14.454 ± 0.007 Å
• α: 90°
• β: 114.777 ± 0.007°
• γ: 90°
• Cell volume: 1133.6 ± 0.9 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: 0.0842
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes