Information card for entry 2003663

Structure parameters

• Chemical name: (∓)-threo-2,3-diphenyl-3-hydroxypropanoic acid, methyl ester
• Formula: C16 H16 O3
• Calculated formula: C16 H15 O3
• Title of publication: (±)-<i>threo</i>-3-Hydroxy-2,3-diphenylpropanoic Acid Methyl Ester
• Authors of publication: Kolev, T.; Preut, H.; Bleckmann, P.; Juchnovski, I.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1350 - 1352
• a: 15.988 ± 0.004 Å
• b: 5.715 ± 0.001 Å
• c: 16.097 ± 0.004 Å
• α: 90°
• β: 112.88 ± 0.02°
• γ: 90°
• Cell volume: 1355.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for all reflections: 0.1202
• Weighted residual factors for significantly intense reflections: 0.1079
• Goodness-of-fit parameter for all reflections: 1.041
• Goodness-of-fit parameter for significantly intense reflections: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No