Information card for entry 7215959

Structure parameters

• Chemical name: Felodipine : 4,4'-bipyridine (1:1)
• Formula: C28 H27 Cl2 N3 O4
• Calculated formula: C28 H27 Cl2 N3 O4
• SMILES: Clc1cccc(C2C(=C(NC(=C2C(=O)OC)C)C)C(=O)OCC)c1Cl.n1ccc(cc1)c1ccncc1
• Title of publication: Polymorphism of felodipine co-crystals with 4,4′-bipyridine
• 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: 2014
• Journal volume: 16
• Journal issue: 29
• Pages of publication: 6603
• a: 36.197 ± 0.003 Å
• b: 36.436 ± 0.003 Å
• c: 8.0228 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10581.1 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No