Information card for entry 1518487

Structure parameters

• Formula: C24 H24 O6
• Calculated formula: C24 H24 O6
• SMILES: O1[C@@H]2c3ccccc3C3=C([C@H]4[C@@H](C3=O)[C@H]3C[C@@H]4CC3)[C@H]1CC2(C(=O)OC)C(=O)OC.O1[C@H]2c3ccccc3C3=C([C@@H]4[C@H](C3=O)[C@@H]3C[C@H]4CC3)[C@@H]1CC2(C(=O)OC)C(=O)OC
• Title of publication: Lewis Acid catalyzed intramolecular [3 + 2] cross cycloadditions of cobalt-alkynylcyclopropane 1,1-diesters with carbonyls for construction of medium-sized and polycyclic skeletons.
• Authors of publication: Zhang, Junhui; Xing, Siyang; Ren, Jun; Jiang, Shende; Wang, Zhongwen
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 2
• Pages of publication: 218 - 221
• a: 17.142 ± 0.003 Å
• b: 9.0363 ± 0.0018 Å
• c: 12.653 ± 0.003 Å
• α: 90°
• β: 90.03 ± 0.03°
• γ: 90°
• Cell volume: 1960 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No