Information card for entry 1507744

Structure parameters

• Formula: C17 H22 O4
• Calculated formula: C17 H22 O4
• SMILES: O1[C@@H]2C[C@H]([C@]([C@@H]3CCCC(=C23)C1=O)(C(=O)OC)CC=C)C.O1[C@H]2C[C@@H]([C@@]([C@H]3CCCC(=C23)C1=O)(C(=O)OC)CC=C)C
• Title of publication: Total synthesis of (-)-teucvidin.
• Authors of publication: Liu, Xiaozu; Lee, Chi-Sing
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 2886 - 2889
• a: 8.2806 ± 0.0006 Å
• b: 8.7559 ± 0.0002 Å
• c: 11.7722 ± 0.0002 Å
• α: 84.347 ± 0.007°
• β: 73.511 ± 0.007°
• γ: 68.007 ± 0.005°
• Cell volume: 758.84 ± 0.07 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No