Information card for entry 7153309

Structure parameters

• Formula: C21 H14 O4
• Calculated formula: C21 H14 O4
• SMILES: O=C(c1ccccc1O)c1cc2c(oc3c(c2=O)cccc3)cc1C
• 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: 12.377 ± 0.002 Å
• b: 15.318 ± 0.002 Å
• c: 8.3322 ± 0.0014 Å
• α: 90°
• β: 94.579 ± 0.003°
• γ: 90°
• Cell volume: 1574.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.073
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No