Information card for entry 4103857

Structure parameters

• Formula: C27 H28 O6
• Calculated formula: C27 H28 O6
• SMILES: O(c1cc(OC)c2C[C@@H]3c4c([C@H](c2c1)c1c3cc(OC)c(OC)c1)c(OC)cc(OC)c4)C.O(c1cc(OC)c2C[C@H]3c4c([C@@H](c2c1)c1c3cc(OC)c(OC)c1)c(OC)cc(OC)c4)C
• 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: 8.6151 ± 0.0012 Å
• b: 22.939 ± 0.003 Å
• c: 11.7749 ± 0.0016 Å
• α: 90°
• β: 101.057 ± 0.002°
• γ: 90°
• Cell volume: 2283.8 ± 0.5 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 3
• 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: 0.1577
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1735
• Weighted residual factors for all reflections included in the refinement: 0.2148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No