Information card for entry 2000405

Structure parameters

• Formula: C20 H20 O8
• Calculated formula: C20 H20 O8
• SMILES: OC(=O)CCCC(=O)Oc1ccc2c(c1)ccc(c2)OC(=O)CCCC(=O)O
• Title of publication: Structure of 4,4'-[2,6-naphthylenebis(oxycarbonyl)]dibutyric acid
• Authors of publication: Centore, R.; Ciajolo, M. R.; Tuzi, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 2255 - 2257
• a: 7.002 ± 0.001 Å
• b: 9.253 ± 0.002 Å
• c: 14.869 ± 0.003 Å
• α: 90°
• β: 104.83 ± 0.01°
• γ: 90°
• Cell volume: 931.3 ± 0.3 ų
• Cell temperature: 293 K
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.065
• Goodness-of-fit parameter for significantly intense reflections: 2.904
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No