Information card for entry 8106642

Structure parameters

• Chemical name: 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b] isoquinolin-7-ium 5,7-Dihydroxy-3-(4-hydroxyphenyl) -4H-chromen-4-one methanol solvate
• Formula: C37 H35 N O10
• Calculated formula: C37 H35 N O10
• Title of publication: Crystal structure of 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium 5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate methanol solvate, C37H35N1O10
• Authors of publication: Zhang, Yanjie; Lou, Benyong; Huang, Yali; Zheng, Guocai; Lin, Qi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 4
• Pages of publication: 681 - 683
• a: 12.039 ± 0.008 Å
• b: 12.353 ± 0.009 Å
• c: 12.938 ± 0.009 Å
• α: 102.786 ± 0.003°
• β: 111.865 ± 0.006°
• γ: 105.173 ± 0.007°
• Cell volume: 1610.6 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1032
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No