Information card for entry 7220392

Structure parameters

• Common name: felodipine:acetone (1:1)
• Chemical name: felodipine:acetone (1:1)
• Formula: C21 H25 Cl2 N O5
• Calculated formula: C21 H25 Cl2 N O5
• SMILES: Clc1c(C2C(=C(NC(=C2C(=O)OC)C)C)C(=O)OCC)cccc1Cl.O=C(C)C
• 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: 9.1774 ± 0.0008 Å
• b: 16.6983 ± 0.0015 Å
• c: 14.3375 ± 0.0011 Å
• α: 90°
• β: 105.865 ± 0.004°
• γ: 90°
• Cell volume: 2113.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No