Information card for entry 4134416

Structure parameters

• Formula: C23 H19 O2 P
• Calculated formula: C23 H19 O2 P
• SMILES: [P@](=O)(c1c(OC)cccc1)(c1c2ccccc2ccc1)c1ccccc1
• Title of publication: Enantiodivergent Formation of C-P Bonds: Synthesis of P-Chiral Phosphines and Methyl-phosphonate Oligonucleotides.
• Authors of publication: Xu, Dongmin; Rivas-Bascón, Nazaret; M Padial, Natalia; Knouse, Kyle W.; Zheng, Bin; Vantourout, Julien C.; Schmidt, Michael A.; Eastgate, Martin D.; Baran, Phil S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 9.6822 ± 0.0002 Å
• b: 8.5651 ± 0.0001 Å
• c: 10.6603 ± 0.0002 Å
• α: 90°
• β: 93.474 ± 0.001°
• γ: 90°
• Cell volume: 882.42 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0249
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No