Information card for entry 4038582

Structure parameters

• Formula: C16 H23 O2 P
• Calculated formula: C16 H23 O2 P
• SMILES: [P@@H](=O)(c1ccccc1)[C@H]1C[C@H](C(=C)C)CC[C@@]1(O)C
• Title of publication: Diastereoselective Synthesis of P-Stereogenic Secondary Phosphine Oxides (SPOs) Bearing a Chiral Substituent by Ring Opening of (+)-Limonene Oxide with Primary Phosphido Nucleophiles.
• Authors of publication: Zimmerman, Amber; Xu, Rebecca; Reynolds, Samantha C.; Shipp, Chase; Marshall, Derrick; Wang, Ge; Blank, Natalia F.; Gibbons, Sarah; Hughes, Russell P.; Glueck, David S.; Balaich, Gary James; Rheingold, Arnold L.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 5.9126 ± 0.0003 Å
• b: 12.16 ± 0.0006 Å
• c: 20.6164 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1482.26 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No