Information card for entry 1555123

Structure parameters

• Formula: C25 H24 O
• Calculated formula: C25 H24 O
• SMILES: O(c1ccc([C@H]2C(c3ccccc3)(c3ccccc3)[C@H]2CC=C)cc1)C.O(c1ccc([C@@H]2C(c3ccccc3)(c3ccccc3)[C@@H]2CC=C)cc1)C
• Title of publication: Highly convergent modular access to poly-carbon substituted cyclopropanes via Cu(i)-catalyzed three-component cyclopropene carboallylation
• Authors of publication: Li, Hexin; Zhang, Mengru; Mehfooz, Haroon; Zhu, Dongxia; Zhao, Jinbo; Zhang, Qian
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 19
• Pages of publication: 3387
• a: 10.22 ± 0.002 Å
• b: 9.55 ± 0.002 Å
• c: 20.071 ± 0.005 Å
• α: 90°
• β: 93.737 ± 0.013°
• γ: 90°
• Cell volume: 1954.8 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 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: 0.0749
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No