Information card for entry 1544342

Structure parameters

• Formula: C38 H26 F10 O6
• Calculated formula: C38 H26 F10 O6
• SMILES: Fc1c(c2c3c4cc(OC)c(OC)c(OC)c4c4c(c3cc(c2c2c(F)c(F)c(F)c(F)c2F)C)cc(OC)c(OC)c4)c(F)c(F)c(F)c1F.O=C(OCC)C
• Title of publication: Single-Flask Multicomponent Synthesis of Highly Substituted α-Pyrones via a Sequential Enolate Arylation and Alkenylation Strategy.
• Authors of publication: Grigalunas, Michael; Wiest, Olaf; Helquist, Paul
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 21
• Pages of publication: 5724 - 5727
• a: 8.1826 ± 0.0009 Å
• b: 25.666 ± 0.003 Å
• c: 31.715 ± 0.004 Å
• α: 90°
• β: 95.407 ± 0.002°
• γ: 90°
• Cell volume: 6631 ± 1.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No