Information card for entry 4506963

Structure parameters

• Formula: C20 H26 N2 O4
• Calculated formula: C20 H26 N2 O4
• SMILES: C(=O)([C@H](c1ccccc1)NC(=O)OCc1ccccc1)[O-].C(C)(C)(C)[NH3+]
• Title of publication: Design and Evaluation of Salts betweenN-Trityl Amino Acid andtert-Butylamine as Inclusion Crystals of Alcohols
• Authors of publication: Megumi, Ken; Nadiah Binti Mohd Arif, Fara; Matsumoto, Shoji; Akazome, Motohiro
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 5680
• a: 5.837 ± 0.003 Å
• b: 14.312 ± 0.006 Å
• c: 22.631 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1890.6 ± 1.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1088
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No