Information card for entry 7220393

Structure parameters

• Common name: felodipine:acetophenone (1:1)
• Formula: C26 H27 Cl2 N O5
• Calculated formula: C26 H27 Cl2 N O5
• SMILES: Clc1cccc([C@@H]2C(=C(NC(=C2C(=O)OC)C)C)C(=O)OCC)c1Cl.O=C(C)c1ccccc1
• Title of publication: Diversity of felodipine solvates: structure and physicochemical properties
• Authors of publication: Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 22
• Pages of publication: 4089
• a: 7.394 ± 0.0007 Å
• b: 11.4991 ± 0.001 Å
• c: 29.003 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2466 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No