Information card for entry 7153074

Structure parameters

• Formula: C28 H24 O6
• Calculated formula: C28 H24 O6
• SMILES: o1c(OCc2ccccc2)c(c(c2ccccc2)c1C(=O)OCC)C(=O)OCc1ccccc1
• Title of publication: Modular synthesis of all-substituted furans through oxidative carbonylation of cyclopropenes with tandem metal relay catalysis.
• Authors of publication: Song, Chuanling; Dong, Shuli; Feng, Lei; Peng, Xianglong; Wang, Mingchao; Wang, Jianwu; Xu, Zhenghu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 37
• Pages of publication: 6258 - 6262
• a: 9.0618 ± 0.0012 Å
• b: 11.3801 ± 0.0015 Å
• c: 12.3091 ± 0.0016 Å
• α: 73.216 ± 0.002°
• β: 85.2965 ± 0.0019°
• γ: 67.465 ± 0.002°
• Cell volume: 1121.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0568
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No