Information card for entry 2100138

Structure parameters

• Chemical name: bis-(R)-1.Phenylethylammonium rac-tartrate(2-)
• Formula: C41 H60 N4 O13
• Calculated formula: C41 H60 N4 O13
• SMILES: O=C([O-])C(O)C(O)C(=O)[O-].[NH3+][C@@H](c1ccccc1)C.[NH3+][C@@H](c1ccccc1)C.OC
• Title of publication: Supramolecular structures of 1-phenylethylammonium tartrates
• Authors of publication: Turkington, David E.; MacLean, Elizabeth J.; Lough, Alan J.; Ferguson, George; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: 103 - 114
• a: 9.0822 ± 0.0003 Å
• b: 15.7819 ± 0.0005 Å
• c: 15.904 ± 0.0005 Å
• α: 108.746 ± 0.0015°
• β: 96.858 ± 0.002°
• γ: 90.06 ± 0.0018°
• Cell volume: 2141.33 ± 0.12 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No