Information card for entry 1560122

Structure parameters

• Common name: vinpocetine oxalate
• Formula: C24 H28 N2 O6
• Calculated formula: C24 H28 N2 O6
• SMILES: n12c3[C@H]4[NH+](CCc3c3ccccc13)CCC[C@]4(C=C2C(=O)OCC)CC.C(=O)([O-])C(=O)O
• Title of publication: Mechanochemical reactivity inhibited, prohibited and reversed by liquid additives: examples from crystal-form screens
• Authors of publication: Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Bordignon, Simone; Chierotti, Michele R.; Stratford, Samuel A.; Voinovich, Dario; Jones, William; Hasa, Dritan
• Journal of publication: Chemical Science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 9
• Pages of publication: 3264 - 3269
• a: 18.5604 ± 0.0011 Å
• b: 7.5949 ± 0.0004 Å
• c: 8.0212 ± 0.0005 Å
• α: 90°
• β: 96.383 ± 0.005°
• γ: 90°
• Cell volume: 1123.69 ± 0.11 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor R(I) for significantly intense reflections: 0.037
• Goodness-of-fit parameter for all reflections: 3.078
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No