Information card for entry 4313187

Structure parameters

• Formula: C29 H31 N O2 P2
• Calculated formula: C29 H31 N O2 P2
• SMILES: P(=O)(c1ccccc1)(c1ccccc1)CN(CP(=O)(c1ccccc1)c1ccccc1)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: 8.468 ± 0.0008 Å
• b: 15.126 ± 0.001 Å
• c: 20.262 ± 0.002 Å
• α: 90 ± 0.007°
• β: 90 ± 0.009°
• γ: 90 ± 0.007°
• Cell volume: 2595.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P 21 c n
• Hall space group symbol: P -2n 2a
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.7093 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No