Information card for entry 7153936

Structure parameters

• Formula: C10 H6 O4
• Calculated formula: C10 H6 O4
• SMILES: o1c(c2c(cco2)C=O)c(cc1)C=O
• Title of publication: Convenient access to readily soluble symmetrical dialkyl-substituted α-oligofurans.
• Authors of publication: Korshin, Edward E.; Leitus, Gregory M.; Bendikov, Michael
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 34
• Pages of publication: 6661 - 6671
• a: 6.1142 ± 0.0012 Å
• b: 12.283 ± 0.003 Å
• c: 5.6061 ± 0.0011 Å
• α: 90°
• β: 107.7 ± 0.03°
• γ: 90°
• Cell volume: 401.09 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No