Information card for entry 1503512

Structure parameters

• Formula: C24 H20 O11
• Calculated formula: C24 H20 O11
• SMILES: O(C)C(=O)c1c(O)ccc(c1C(=O)OC)c1oc(cc1)c1ccc(O)c(C(=O)OC)c1C(=O)OC
• Title of publication: Reactivity of long conjugated systems: selectivity of Diels-Alder cycloaddition in oligofurans.
• Authors of publication: Gidron, Ori; Shimon, Linda J. W.; Leitus, Gregory; Bendikov, Michael
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 502 - 505
• a: 9.4821 ± 0.0005 Å
• b: 9.8407 ± 0.0005 Å
• c: 12.7059 ± 0.0007 Å
• α: 71.701 ± 0.002°
• β: 75.391 ± 0.002°
• γ: 79.222 ± 0.002°
• Cell volume: 1081.72 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No