Information card for entry 7217785

Structure parameters

• Common name: Ezetimibe
• Chemical name: Ezetimibe
• Formula: C24 H21 F2 N O3
• Calculated formula: C24 H21 F2 N O3
• SMILES: Fc1ccc(cc1)[C@H](O)CC[C@H]1[C@@H](N(C1=O)c1ccc(F)cc1)c1ccc(O)cc1
• Title of publication: New cocrystals of ezetimibe withl-proline and imidazole
• Authors of publication: Shimpi, Manishkumar R.; Childs, Scott L.; Boström, Dan; Velaga, Sitaram P.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 38
• Pages of publication: 8984
• a: 5.951 ± 0.0019 Å
• b: 15.899 ± 0.005 Å
• c: 21.4 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2024.8 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1171
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.2013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No