Information card for entry 4103853

Structure parameters

• Formula: C28 H28 O8
• Calculated formula: C28 H28 O8
• SMILES: O=C1c2c([C@@H](OC(=O)C)[C@@H](c3c1c(OC)cc(OC)c3)c1ccc(OC)cc1)c(OC)cc(OC)c2.O=C1c2c([C@H](OC(=O)C)[C@H](c3c1c(OC)cc(OC)c3)c1ccc(OC)cc1)c(OC)cc(OC)c2
• Title of publication: Total Synthesis of Diverse Carbogenic Complexity within the Resveratrol Class from a Common Building Block
• Authors of publication: Scott A. Snyder; Steven P. Breazzano; Audrey G. Ross; Yunqing Lin; Alexandros L. Zografos
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 1753 - 1765
• a: 8.6445 ± 0.0009 Å
• b: 10.622 ± 0.0011 Å
• c: 26.384 ± 0.003 Å
• α: 90°
• β: 97.951 ± 0.002°
• γ: 90°
• Cell volume: 2399.3 ± 0.4 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 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: 0.1101
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1696
• Weighted residual factors for all reflections included in the refinement: 0.1994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No