Information card for entry 7118504

Structure parameters

• Common name: wjp2014_10_9
• Chemical name: tert-butyl 2-methyl-5-phenyl-4-(thiophen-2-yl)furan-3-carboxylate
• Formula: C20 H20 O3 S
• Calculated formula: C20 H20 O3 S
• 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: 9.2716 ± 0.0005 Å
• b: 11.6329 ± 0.0006 Å
• c: 17.2262 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1857.94 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No