Information card for entry 4122431

Structure parameters

• Chemical name: 3-([1,1'-biphenyl]-4-yl)-5-(2-iodophenyl)-2-phenylfuran
• Formula: C28 H19 I O
• Calculated formula: C28 H19 I O
• SMILES: c1(ccccc1c1cc(c2ccc(c3ccccc3)cc2)c(c2ccccc2)o1)I
• Title of publication: Palladium-catalyzed condensation of N-aryl imines and alkynylbenziodoxolones to form multisubstituted furans.
• Authors of publication: Lu, Beili; Wu, Junliang; Yoshikai, Naohiko
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 33
• Pages of publication: 11598 - 11601
• a: 9.2952 ± 0.0005 Å
• b: 10.6071 ± 0.0005 Å
• c: 11.2809 ± 0.0005 Å
• α: 97.188 ± 0.001°
• β: 103.871 ± 0.001°
• γ: 95.533 ± 0.002°
• Cell volume: 1062.05 ± 0.09 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No