Information card for entry 4103856

Structure parameters

• Formula: C29 H29 Cl6 O6
• Calculated formula: C27 H27 O6
• SMILES: [C@H]12c3c([C@H](Cc4c1cc(OC)c(OC)c4)c1c2c(OC)cc(OC)c1)c(OC)cc(OC)c3.[C@@H]12c3c([C@@H](Cc4c1cc(OC)c(OC)c4)c1c2c(OC)cc(OC)c1)c(OC)cc(OC)c3
• 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: 15.983 ± 0.004 Å
• b: 8.71 ± 0.002 Å
• c: 23.384 ± 0.005 Å
• α: 90°
• β: 109.854 ± 0.003°
• γ: 90°
• Cell volume: 3061.8 ± 1.2 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 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: 0.2107
• Residual factor for significantly intense reflections: 0.1105
• Weighted residual factors for significantly intense reflections: 0.2835
• Weighted residual factors for all reflections included in the refinement: 0.3169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No