Information card for entry 2021835

Structure parameters

• Chemical name: 5,6-Dihydro-9,10-dimethoxybenzo[<i>g</i>][1,3]benzodioxolo[5,6-<i>a</i>]quinolizinium 2-[2-(2,6-dichloroanilino)phenyl]acetate methanol disolvate
• Formula: C36 H36 Cl2 N2 O8
• Calculated formula: C36 H36 Cl2 N2 O8
• Title of publication: Five solvates of a multicomponent pharmaceutical salt formed by berberine and diclofenac
• Authors of publication: Sun, Wei; Zuo, Limin; Zhao, Ting; Zhu, Zhiling; Shan, Guangzhi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 12
• a: 8.1183 ± 0.0003 Å
• b: 13.7384 ± 0.0006 Å
• c: 15.0469 ± 0.0006 Å
• α: 97.102 ± 0.004°
• β: 97.62 ± 0.003°
• γ: 91.886 ± 0.003°
• Cell volume: 1648.56 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes