Information card for entry 4103855

Structure parameters

• Formula: C27 H28 O7
• Calculated formula: C27 H28 O7
• SMILES: O=C1c2cc(OC)c(OC)cc2C(c2c(OC)cc(OC)cc12)Cc1cc(OC)cc(OC)c1
• 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: 12.7907 ± 0.001 Å
• b: 15.3447 ± 0.0012 Å
• c: 12.2082 ± 0.001 Å
• α: 90°
• β: 107.131 ± 0.001°
• γ: 90°
• Cell volume: 2289.8 ± 0.3 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: 0.1016
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1839
• Weighted residual factors for all reflections included in the refinement: 0.2112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No