Information card for entry 7062800

Structure parameters

• Formula: C24 H16 O3
• Calculated formula: C24 H16 O3
• SMILES: o1c2c(cc(c3ccc(c4ccccc4)cc3)c(O)c2)c2c1cccc2O
• Title of publication: Unusual participation of O-propargyl group during the cyclization of 6-hydroxy-2-propargyl ethers of aryl chalcones: one-pot synthesis of 2-acyl-3-styrylbenzofuran and 7-aryldibenzo[b,d]furan-1,7-diols
• Authors of publication: Samyuktha, Arimalai Dinakararaja; Ethiraj, Kannatt Radhakrishnan; Shanmugam, Ponnusamy
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 45
• Pages of publication: 20818 - 20830
• a: 9.1787 ± 0.0005 Å
• b: 9.192 ± 0.0005 Å
• c: 11.2622 ± 0.0006 Å
• α: 105.164 ± 0.002°
• β: 92.91 ± 0.002°
• γ: 109.138 ± 0.002°
• Cell volume: 856.66 ± 0.08 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 302 ± 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: 0.0713
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No