Information card for entry 8106130

Structure parameters

• Formula: C48 H54 Cl2 N2 O17
• Calculated formula: C48 H54 Cl2 N2 O17
• Title of publication: Crystal structure of 9,10-dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium chloride — 4-hydroxy-3-methoxybenzoic acid — water (2/1/5), C48H54N2Cl2O17
• Authors of publication: Zhang, Mei; Lou, Benyong; Huang, Xiaodong; Huang, Yali
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 2
• Pages of publication: 291 - 293
• a: 28.3651 ± 0.0008 Å
• b: 22.8464 ± 0.0006 Å
• c: 7.1341 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4623.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No