Information card for entry 7233537

Structure parameters

• Common name: (+/-)-Synephrine Oxalic Acid (1:0.5) Salt
• Chemical name: (+/-)-Synephrine Oxalic Acid (1:0.5) Salt
• Formula: C10 H14 N O4
• Calculated formula: C10 H14 N O4
• Title of publication: Cation∙∙∙Cation Hydrogen Bonds in Synephrine Salts: A Typical Interaction in an Unusual Environment.
• Authors of publication: Dash, Sibananda G.; Thakur, Tejender S.
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2019
• a: 12.997 ± 0.007 Å
• b: 7.236 ± 0.004 Å
• c: 12.376 ± 0.006 Å
• α: 90°
• β: 116.81 ± 0.02°
• γ: 90°
• Cell volume: 1038.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1247
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.181
• Weighted residual factors for all reflections included in the refinement: 0.2064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No