Information card for entry 7018008

Structure parameters

• Formula: C18 H35 O3 P
• Calculated formula: C18 H35 O3 P
• SMILES: P(=O)(C1CCCCC1)(C1CCCCC1)C1CCCCC1.OO
• Title of publication: Synthesis, purification, and characterization of phosphine oxides and their hydrogen peroxide adducts.
• Authors of publication: Hilliard, Casie R.; Bhuvanesh, Nattamai; Gladysz, John A.; Blümel, Janet
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 6
• Pages of publication: 1742 - 1754
• a: 8.579 ± 0.002 Å
• b: 9.584 ± 0.003 Å
• c: 12.26 ± 0.003 Å
• α: 95.445 ± 0.003°
• β: 97.065 ± 0.003°
• γ: 112.824 ± 0.003°
• Cell volume: 910.8 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No