Information card for entry 7135711

Structure parameters

• Common name: ibuprofen L-proline sodium
• Formula: C18 H30 N Na O6
• Calculated formula: C18 H30 N Na O6
• Title of publication: Chiral resolution of racemic ibuprofen sodium <i>via</i> diastereomeric ionic cocrystallization with proline.
• Authors of publication: Wen, Ting; Robeyns, Koen; Collard, Laurent; Leyssens, Tom; Leng, Fucheng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 32
• Pages of publication: 8280 - 8283
• a: 9.3842 ± 0.0006 Å
• b: 6.1358 ± 0.0005 Å
• c: 18.3975 ± 0.0017 Å
• α: 90°
• β: 96.437 ± 0.007°
• γ: 90°
• Cell volume: 1052.64 ± 0.15 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No