Information card for entry 2203444

Structure parameters

• Common name: anhydrous sodium naproxen
• Chemical name: Sodium (S)-(+)-6-methoxy-α-methyl-2-naphthaleneacetate
• Formula: C14 H13 Na O3
• Calculated formula: C14 H13 Na O3
• SMILES: COc1ccc2cc([C@@H](C(=O)[O-])C)ccc2c1.[Na+]
• Title of publication: Anhydrous sodium naproxen
• Authors of publication: Kim, Young-soo; VanDerveer, Don; Rousseau, Ronald W.; Wilkinson, Angus P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: m419 - m420
• a: 9.969 ± 0.003 Å
• b: 5.9346 ± 0.0016 Å
• c: 20.823 ± 0.006 Å
• α: 90°
• β: 102.025 ± 0.005°
• γ: 90°
• Cell volume: 1204.9 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0613
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes