Information card for entry 2312620

Structure parameters

• Common name: Matrine 1.75-hydrate
• Chemical name: (1<i>R</i>,2<i>R</i>,9<i>S</i>,17<i>S</i>)-7,13-Diazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadecan-6-one 1.75-hydrate
• Formula: C15 H27.5 N2 O2.75
• Calculated formula: C15 H27.5 N2 O2.75
• Title of publication: Crystal structures and properties of derivatives of the alkaloid matrine: salts and hydrate forms.
• Authors of publication: Liu, Jiyong; Shi, Dier; Yu, Kaxi; Liu, Shuna; Chen, Linshen; Hu, Xiurong
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 10
• a: 11.7364 ± 0.0003 Å
• b: 11.7364 ± 0.0003 Å
• c: 21.9295 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3020.64 ± 0.17 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.0407
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes