Information card for entry 1505901

Structure parameters

• Formula: C31 H34 O8
• Calculated formula: C31 H34 O8
• SMILES: O1[C@@H]2[C@H](c3cc(ccc3C(=C2[C@H]([C@H]1c1ccc(C)cc1)C(=O)OCC)O/C=C/C(=O)OCC)C)C(=O)OCC.O1[C@H]2[C@@H](c3cc(ccc3C(=C2[C@@H]([C@@H]1c1ccc(C)cc1)C(=O)OCC)O/C=C/C(=O)OCC)C)C(=O)OCC
• Title of publication: A highly selective cascade approach to diverse aromatic ring systems from simple aromatic aldehydes and propiolates.
• Authors of publication: Wang, Yan-Guang; Cui, Sun-Liang; Lin, Xu-Feng
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 6
• Pages of publication: 1241 - 1244
• a: 11.573 ± 0.003 Å
• b: 14.732 ± 0.004 Å
• c: 17.032 ± 0.005 Å
• α: 90°
• β: 98.886 ± 0.011°
• γ: 90°
• Cell volume: 2869 ± 1.4 ų
• Cell temperature: 297.1 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 significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No