Information card for entry 7211221

Structure parameters

• Formula: C10 H18 Cl F2 Li N2 O4
• Calculated formula: C10 H6 Cl F2 Li N2 O4
• SMILES: FC(=C[C@H]1CN([C@H](C(=O)N)CC)C(=[O][Li](Cl)([OH2])[OH2])C1)F
• Title of publication: Novel pharmaceutical compositions through co-crystallization of racetams and Li+ salts
• Authors of publication: Wouters, Johan; Grepioni, Fabrizia; Braga, Dario; Kaminski, Rafal M.; Rome, Sandrine; Aerts, Luc; Quéré, Luc
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 44
• Pages of publication: 8898
• a: 6.197 ± 0.004 Å
• b: 8.635 ± 0.002 Å
• c: 28.79 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1540.6 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0395
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No