Information card for entry 2010430

Structure parameters

• Formula: C32 H35 N O9
• Calculated formula: C32 H35 N O9
• Title of publication: (<i>S</i>)-1-Phenylethylammonium (<i>S</i>)-Mandelate‒Mandelic Acid (1/2), C~8~H~12~N^+^.C~8~H~7~O~3~^{-^}.2C~8~H~8~O~3~
• Authors of publication: Lopez de Diego, Heidi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 2
• Pages of publication: 253 - 256
• a: 9.7196 ± 0.0013 Å
• b: 9.848 ± 0.002 Å
• c: 30.923 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2959.9 ± 1 ų
• Cell temperature: 122 ± 0.5 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 significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1298
• Goodness-of-fit parameter for significantly intense reflections: 1.15
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No