Information card for entry 2201418

Structure parameters

• Chemical name: Tetrasodium tetrahydrofuran-trans-cis-trans-tetracarboxylate pentahydrate
• Formula: C8 H14 Na4 O14
• Calculated formula: C8 H14 Na4 O14
• SMILES: [Na+].[Na+].[Na+].[Na+].O1[C@H]([C@@H]([C@@H]([C@H]1C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-].O.O.O.O.O
• Title of publication: Tetrasodium tetrahydrofuran-<i>trans</i>-<i>cis</i>-<i>trans</i>-tetracarboxylate pentahydrate
• Authors of publication: Barnes, John C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 7
• Pages of publication: m378 - m380
• a: 30.1575 ± 0.0013 Å
• b: 6.3341 ± 0.0003 Å
• c: 15.9844 ± 0.0009 Å
• α: 90°
• β: 96.772 ± 0.002°
• γ: 90°
• Cell volume: 3032 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1445
• 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: No
• Has Fobs: Yes