Information card for entry 1556045

Structure parameters

• Formula: C19 H20 O3
• Calculated formula: C19 H20 O3
• SMILES: O(Cc1ccccc1)CC[C@H]1[C@@H](OC(=O)C1)c1ccccc1
• Title of publication: Copper(I)-Catalyzed Stereo- and Chemoselective Borylative Radical Cyclization of Alkyl Halides Bearing an Alkene Moiety.
• Authors of publication: Iwamoto, Hiroaki; Akiyama, Sota; Hayama, Keiichi; Ito, Hajime
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 10
• Pages of publication: 2614 - 2617
• a: 17.9303 ± 0.0008 Å
• b: 6.8625 ± 0.0003 Å
• c: 13.4226 ± 0.0006 Å
• α: 90°
• β: 99.456 ± 0.003°
• γ: 90°
• Cell volume: 1629.16 ± 0.13 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No