Information card for entry 2023285

Structure parameters

• Chemical name: [1-(3,4-Dimethoxybenzyl)-6,7-dimethoxyisoquinoline–fumaric acid (1/1.5)
• Formula: C26 H27 N O10
• Calculated formula: C26 H27 N O10
• Title of publication: Crystal structures of two different multi-component crystals consisting of 1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline and fumaric acid
• Authors of publication: Shibata, Hiroki; Sakon, Aya; Takata, Noriyuki; Takiyama, Hiroshi
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 11
• Pages of publication: 1146 - 1150
• a: 9.529 ± 0.0002 Å
• b: 10.5445 ± 0.0003 Å
• c: 12.6509 ± 0.0004 Å
• α: 91.606 ± 0.002°
• β: 104.98 ± 0.002°
• γ: 97.823 ± 0.002°
• Cell volume: 1213.86 ± 0.06 ų
• Cell temperature: 99.9 ± 0.4 K
• Ambient diffraction temperature: 99.9 ± 0.4 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: 0.0599
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No