Information card for entry 7153311

Structure parameters

• Formula: C26 H16 O4
• Calculated formula: C26 H16 O4
• SMILES: O=C1c2ccccc2Oc2c1cc(cc2c1ccccc1)C(=O)c1ccccc1O
• Title of publication: A base-promoted desalicyloylative dimerization of 3-(1-alkynyl)chromones: an unusual approach to 2-alkynyl xanthones.
• Authors of publication: Xie, Fuchun; Pan, Xuan; Lin, Shijun; Hu, Youhong
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 6
• Pages of publication: 1378 - 1381
• a: 14.46 ± 0.002 Å
• b: 7.799 ± 0.0012 Å
• c: 33.363 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3762.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No