Information card for entry 7233540

Structure parameters

• Common name: Synephrine-DL-Malic acid 1:0.5 salt
• Formula: C11 H15.5 N O4.5
• Calculated formula: C11 H15.5 N O4.5
• 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: 5.7487 ± 0.0003 Å
• b: 8.9795 ± 0.0005 Å
• c: 11.6493 ± 0.0006 Å
• α: 100.209 ± 0.005°
• β: 90.688 ± 0.004°
• γ: 106.188 ± 0.005°
• Cell volume: 567.16 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1675
• Weighted residual factors for all reflections included in the refinement: 0.1913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No