Information card for entry 4122943

Structure parameters

• Formula: C19 H19 Br O2
• Calculated formula: C19 H19 Br O2
• SMILES: Brc1ccc([C@H](O)[C@@]2([C@H](O)c3ccccc3)CCC=C2)cc1
• Title of publication: Copper(I)-Catalyzed Enantioselective Synthesis of α-Chiral Linear or Carbocyclic (E)-(γ-Alkoxyallyl)boronates.
• Authors of publication: Yamamoto, Eiji; Takenouchi, Yuta; Ozaki, Taichi; Miya, Takanori; Ito, Hajime
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Pages of publication: 141114100046006
• a: 7.6581 ± 0.0005 Å
• b: 10.9491 ± 0.0008 Å
• c: 11.8918 ± 0.0009 Å
• α: 76.1231 ± 0.0019°
• β: 82.045 ± 0.003°
• γ: 70.7134 ± 0.0018°
• Cell volume: 911.78 ± 0.11 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No