Information card for entry 2242959

Structure parameters

• Common name: Buthylene glycol difuranoate
• Formula: C14 H14 O6
• Calculated formula: C14 H14 O6
• SMILES: o1c(ccc1)C(=O)OCCCCOC(=O)c1occc1
• Title of publication: Crystal structure of butane-1,4-diyl bis(furan-2-carboxylate)
• Authors of publication: Hoshide, Mitsutoshi; Masu, Hyuma; Sasanuma, Yuji
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 6
• Pages of publication: 872 - 874
• a: 16.1298 ± 0.0017 Å
• b: 7.8773 ± 0.0008 Å
• c: 13.5247 ± 0.0014 Å
• α: 90°
• β: 123.67 ± 0.0012°
• γ: 90°
• Cell volume: 1430.2 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• 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: 0.0542
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes