Information card for entry 1552768

Structure parameters

• Formula: C19 H23 O3 P
• Calculated formula: C19 H23 O3 P
• SMILES: c1(ccccc1)[P@@](=O)([C@@H](C)CC(=O)OCC)c1c(C)cccc1
• Title of publication: Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition.
• Authors of publication: Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 97 - 106
• a: 8.3114 ± 0.0002 Å
• b: 10.1411 ± 0.0002 Å
• c: 10.8128 ± 0.0002 Å
• α: 90°
• β: 107.963 ± 0.002°
• γ: 90°
• Cell volume: 866.95 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No