Information card for entry 4037484

Structure parameters

• Formula: C24 H21 O
• Calculated formula: C24 H20 O
• SMILES: o1c(c2ccccc2)c(c2ccccc2)c(c1c1ccc(cc1)C)C
• Title of publication: Copper-Catalyzed Regioselective Synthesis of Multisubstituted Furans by Coupling between Ketones and Aromatic Olefins.
• Authors of publication: Dey, Amrita; Ali, Md Ashif; Jana, Sourav; Hajra, Alakananda
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 9
• Pages of publication: 4812 - 4818
• a: 6.017 ± 0.002 Å
• b: 9.564 ± 0.003 Å
• c: 30.731 ± 0.011 Å
• α: 90.012 ± 0.011°
• β: 90.214 ± 0.011°
• γ: 90.193 ± 0.012°
• Cell volume: 1768.4 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1239
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1897
• Weighted residual factors for all reflections included in the refinement: 0.2324
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No