Information card for entry 2242684

Structure parameters

• Chemical name: Sodium (2<i>S</i>)-2-(6-methoxynaphthalen-2-yl)propanoate methanol sesquisolvate
• Formula: C15.5 H19 Na O4.5
• Calculated formula: C15.5 H19 Na O4.5
• SMILES: c1(cc2ccc(cc2cc1)OC)[C@H](C)C([O-])=O.[Na+].OC.OC
• Title of publication: The methanol sesquisolvate of sodium naproxen
• Authors of publication: Kriegner, Helene; Weil, Matthias; Jones, Matthew J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 11
• Pages of publication: 1624 - 1627
• a: 12.6776 ± 0.0009 Å
• b: 7.9675 ± 0.0006 Å
• c: 15.1932 ± 0.0011 Å
• α: 90°
• β: 95.7559 ± 0.0019°
• γ: 90°
• Cell volume: 1526.91 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes