Information card for entry 4508039

Structure parameters

• Common name: Sodium naproxen tetrahydrate
• Formula: C14 H21 Na O7
• Calculated formula: C14 H13 Na O7
• SMILES: c1c2ccc(cc2ccc1OC)[C@H](C)C(=O)[O-].[OH2][Na]([OH2])([OH2])[OH2]
• Title of publication: Interpreting the Disordered Crystal Structure of Sodium Naproxen Tetrahydrate
• Authors of publication: Bond, Andrew D.; Cornett, Claus; Larsen, Flemming H.; Qu, Haiyan; Raijada, Dhara; Rantanen, Jukka
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 8
• Pages of publication: 3665
• a: 40.819 ± 0.005 Å
• b: 5.554 ± 0.0005 Å
• c: 7.0928 ± 0.0007 Å
• α: 90°
• β: 98.086 ± 0.004°
• γ: 90°
• Cell volume: 1592 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No