Information card for entry 2013611

Structure parameters

• Common name: Berberine formate-succinic acid clathrate
• Chemical name: 9,10-dimethoxy-2,3-methylendioxy-5,6-dihydrodibenzo[a,g]quinolizinium formate-succinic acid (1/1)
• Formula: C25 H25 N O10
• Calculated formula: C25 H25 N O10
• SMILES: O1c2cc3c(cc2OC1)CC[n+]1cc2c(OC)c(OC)ccc2cc31.OC(=O)CCC(=O)O.O=C[O-]
• Title of publication: Berberine formate‒succinic acid (1/1)
• Authors of publication: Marek, Jaromír; Hulová, Dagmar; Dostál, Jiří; Marek, Radek
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: o583 - o585
• a: 7.9973 ± 0.0008 Å
• b: 12.4449 ± 0.0009 Å
• c: 12.6115 ± 0.0012 Å
• α: 63.753 ± 0.008°
• β: 81.41 ± 0.008°
• γ: 84.866 ± 0.007°
• Cell volume: 1112.74 ± 0.19 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: 0.039
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes