Information card for entry 7233539

Structure parameters

• Common name: (+/-)-Synephrine adipic acid (1:0.5) Salt monolhydrate
• Chemical name: (+/-)-Synephrine adipic acid (1:0.5) Salt monolhydrate
• Formula: C12 H20 N O5
• Calculated formula: C12 H20 N O5
• 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: 28.333 ± 0.01 Å
• b: 5.241 ± 0.0015 Å
• c: 18.325 ± 0.006 Å
• α: 90°
• β: 100.435 ± 0.005°
• γ: 90°
• Cell volume: 2676.1 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No