Information card for entry 7135712

Structure parameters

• Common name: S-ibuprofen L-proline sodium
• Formula: C18 H26 N Na O4
• Calculated formula: C18 H26 N Na O4
• 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: 5.7825 ± 0.0006 Å
• b: 9.8484 ± 0.001 Å
• c: 17.05 ± 0.0015 Å
• α: 83.265 ± 0.008°
• β: 84.387 ± 0.008°
• γ: 85.997 ± 0.008°
• Cell volume: 957.97 ± 0.16 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No