Information card for entry 4506962

Structure parameters

• Formula: C33 H38 N2 O2
• Calculated formula: C33 H38 N2 O2
• SMILES: [NH2+](C(C)C)C(C)C.N([C@H](C(=O)[O-])c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 10.9861 ± 0.0008 Å
• b: 9.1163 ± 0.0007 Å
• c: 14.2512 ± 0.0011 Å
• α: 90°
• β: 100.187 ± 0.001°
• γ: 90°
• Cell volume: 1404.79 ± 0.18 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0386
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No