Information card for entry 7248533

Structure parameters

• Formula: C31 H32 N2 O6
• Calculated formula: C31 H32 N2 O6
• Title of publication: New Solid Forms of Tetrahydrocurcumin with Improved Solubility
• Authors of publication: Tian, Fanyu; Xia, Mengyuan; Wang, Hao; Zhang, Bingrui; Ding, Zhenfeng; Rong, Xiaoyi; Zhu, Bingqing; Mei, Xuefeng
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 13.421 ± 0.005 Å
• b: 6.843 ± 0.003 Å
• c: 14.762 ± 0.004 Å
• α: 90°
• β: 101.98 ± 0.012°
• γ: 90°
• Cell volume: 1326.2 ± 0.8 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1214
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1621
• Weighted residual factors for all reflections included in the refinement: 0.1985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No