Information card for entry 4313189

Structure parameters

• Formula: C16 H19 O2 P
• Calculated formula: C16 H19 O2 P
• SMILES: P(=O)(c1ccccc1)(c1ccccc1)C(O)CCC
• Title of publication: Insertion of Carbon Fragments into P(III)-N Bonds in Aminophosphines and Aminobis(phosphines): Synthesis, Reactivity, and Coordination Chemistry of Resulting Phosphine Oxide Derivatives. Crystal and Molecular Structures of (Ph2P(O)CH2)2NR (R = Me,nPr,nBu), Ph2P(O)CH(OH)nPr, and cis-[MoO2Cl2{(Ph2P(O)CH2)2NEt-κO,κO}]
• Authors of publication: Srinivasan Priya; Maravanji S. Balakrishna; Joel T. Mague; Shaikh M. Mobin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1272 - 1281
• a: 10.595 ± 0.0006 Å
• b: 10.422 ± 0.0006 Å
• c: 13.952 ± 0.002 Å
• α: 90 ± 0.008°
• β: 94.333 ± 0.008°
• γ: 90 ± 0.005°
• Cell volume: 1536.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No