Information card for entry 4032411

Structure parameters

• Chemical name: unk
• Formula: C23 H22 O6
• Calculated formula: C23 H22 O6
• SMILES: o1c(c2ccccc2)ccc1C(c1ccc(cc1)C)C(O)(C(=O)OC)C(=O)OC
• Title of publication: Synthesis of 2,5-Disubstituted Furans from Sc(OTf)3 Catalyzed Reaction of Aryl Oxiranediesters with γ-Hydroxyenones.
• Authors of publication: Mondal, Keshab; Pan, Subhas Chandra
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 8
• Pages of publication: 4415 - 4421
• a: 12.2622 ± 0.001 Å
• b: 16.123 ± 0.0014 Å
• c: 10.5218 ± 0.0008 Å
• α: 90°
• β: 97.12 ± 0.008°
• γ: 90°
• Cell volume: 2064.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No