Information card for entry 2003566

Structure parameters

• Common name: Berberine Iodide
• Formula: C20 H18 I N O4
• Calculated formula: C20 H18 I N O4
• SMILES: [I-].O1COc2c1cc1c(c2)CC[n+]2c1cc1c(c2)c(OC)c(OC)cc1
• Title of publication: Five Salts of Berberine
• Authors of publication: Kariuki, B. M.; Jones, W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 6
• Pages of publication: 1234 - 1240
• a: 7.0814 ± 0.001 Å
• b: 15.917 ± 0.002 Å
• c: 16.154 ± 0.002 Å
• α: 90°
• β: 99.126 ± 0.01°
• γ: 90°
• Cell volume: 1797.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2655
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections: 0.1288
• Weighted residual factors for significantly intense reflections: 0.1
• Goodness-of-fit parameter for all reflections: 0.75
• Goodness-of-fit parameter for significantly intense reflections: 1.277
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No