Information card for entry 7210317

Structure parameters

• Common name: Felodipine : tetramethylurea (1:1)
• Formula: C23 H31 Cl2 N3 O5
• Calculated formula: C23 H31 Cl2 N3 O5
• SMILES: Clc1cccc(C2C(=C(NC(=C2C(=O)OC)C)C)C(=O)OCC)c1Cl.O=C(N(C)C)N(C)C
• Title of publication: Crystal architecture and physicochemical properties of felodipine solvates
• 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: 2013
• Journal volume: 15
• Journal issue: 30
• Pages of publication: 6054
• a: 16.3261 ± 0.0018 Å
• b: 11.4866 ± 0.0011 Å
• c: 14.7468 ± 0.0017 Å
• α: 90°
• β: 111.959 ± 0.003°
• γ: 90°
• Cell volume: 2564.9 ± 0.5 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1033
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No