Information card for entry 1555167

Structure parameters

• Formula: C18 H20 O5
• Calculated formula: C18 H20 O5
• SMILES: O1[C@@]2(C)C=Cc3ccccc3C[C@@H]1CC2(C(=O)OC)C(=O)OC.O1[C@]2(C)C=Cc3ccccc3C[C@H]1CC2(C(=O)OC)C(=O)OC
• Title of publication: Cooperative Photo-/Lewis Acid Catalyzed Tandem Intramolecular [3 + 2] Cross-Cycloadditions of Cyclopropane 1,1-Diesters with α,β-Unsaturated Carbonyls for Medium-Sized Carbocycles.
• Authors of publication: Wang, Zhenjun; Chen, Shuai; Ren, Jun; Wang, Zhongwen
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 17
• Pages of publication: 4184 - 4187
• a: 10.526 ± 0.002 Å
• b: 19.394 ± 0.004 Å
• c: 7.8119 ± 0.0016 Å
• α: 90°
• β: 96.58 ± 0.03°
• γ: 90°
• Cell volume: 1584.2 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0501
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No