Information card for entry 4506482

Structure parameters

• Common name: Felodipine IV
• Formula: C18 H19 Cl2 N O4
• Calculated formula: C18 H19 Cl2 N O4
• SMILES: Clc1cccc(C2C(=C(NC(=C2C(=O)OC)C)C)C(=O)OCC)c1Cl
• Title of publication: Crystallization and Polymorphism of Felodipine
• Authors of publication: Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Perlovich, German L.; Bauer-Brandl, Annette
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 4022
• a: 11.1129 ± 0.0009 Å
• b: 12.5688 ± 0.0011 Å
• c: 13.4969 ± 0.0011 Å
• α: 90°
• β: 107.009 ± 0.004°
• γ: 90°
• Cell volume: 1802.7 ± 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: 0.1282
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1712
• Weighted residual factors for all reflections included in the refinement: 0.1984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No