Information card for entry 4101913

Structure parameters

• Formula: C16 H10 O4
• Calculated formula: C16 H10 O4
• SMILES: c1ccc(c2ccc(o2)c2ccc(c3ccco3)o2)o1
• Title of publication: α-Oligofurans
• Authors of publication: Ori Gidron; Yael Diskin-Posner; Michael Bendikov
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 2148 - 2150
• a: 11.2338 ± 0.0017 Å
• b: 5.3584 ± 0.0007 Å
• c: 10.9863 ± 0.0016 Å
• α: 90°
• β: 114.828 ± 0.005°
• γ: 90°
• Cell volume: 600.2 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0837
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No