Information card for entry 4103854

Structure parameters

• Formula: C28 H29 Cl3 O7
• Calculated formula: C28 H29 Cl3 O7
• SMILES: O=C1c2c(OC)cc(OC)cc2CC(c2c(OC)cc(OC)cc12)c1cc(OC)c(OC)cc1.C(Cl)(Cl)Cl
• 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: 8.8332 ± 0.0004 Å
• b: 9.7719 ± 0.0004 Å
• c: 16.816 ± 0.0007 Å
• α: 101.213 ± 0.001°
• β: 90.461 ± 0.001°
• γ: 107.48°
• Cell volume: 1354.62 ± 0.1 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No