Information card for entry 7118502

Structure parameters

• Common name: Methyl 2-(4-bromophenyl)-4,5-diphenylfuran-3-carboxylate
• Chemical name: wip2014-9-3
• Formula: C24 H17 Br O3
• Calculated formula: C24 H17 Br O3
• SMILES: Brc1ccc(c2oc(c(c2C(=O)OC)c2ccccc2)c2ccccc2)cc1
• Title of publication: Rhodium-catalyzed tunable oxidative cyclization toward the selective synthesis of α-pyrones and furans.
• Authors of publication: Wu, Jiaping; Wang, Dongxu; Wan, Yanjun; Ma, Cheng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 1661 - 1664
• a: 9.703 ± 0.0006 Å
• b: 10.0809 ± 0.001 Å
• c: 11.7856 ± 0.0009 Å
• α: 68.569 ± 0.008°
• β: 80.101 ± 0.006°
• γ: 67.458 ± 0.008°
• Cell volume: 990.43 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.0604
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No