Information card for entry 7248036

Structure parameters

• Chemical name: matrine-h2o
• Formula: C15 H27.5 N2 O2.75
• Calculated formula: C15 H26 N2 O2
• SMILES: O=C1N2C[C@H]3[C@@H]4N(CCC[C@@H]4[C@H]2CCC1)CCC3.O
• Title of publication: Sustained release of matrine via salt formation with hesperetin
• Authors of publication: Zhu, Yujing; Shi, Xiaoju; Li, Duanxiu; Li, Shuang; Wang, Lin; Deng, Zongwu; Huang, Shaohua; Zhang, Hailu
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 8
• Pages of publication: 1090 - 1098
• a: 11.7266 ± 0.0006 Å
• b: 11.7266 ± 0.0006 Å
• c: 21.9372 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3016.7 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 4
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No