Information card for entry 7233534

Structure parameters

• Common name: (+/-)-Synephrine Fumaric Acid (1:0.5) Salt
• Chemical name: (+/-)-Synephrine Fumaric Acid (1:0.5) Salt
• Formula: C11 H15 N O4
• Calculated formula: C11 H15 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: 13.045 ± 0.002 Å
• b: 5.6577 ± 0.0008 Å
• c: 16.169 ± 0.003 Å
• α: 90°
• β: 107.412 ± 0.017°
• γ: 90°
• Cell volume: 1138.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.156
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No