Information card for entry 7042060

Structure parameters

• Chemical name: AKY-488-2
• Formula: C38 H39 F6 Li O11.5 P W
• Calculated formula: C38 H39 F6 Li O11.5 P W
• SMILES: [W](P(=[O][Li]123[O]4CC[O]3CC[O]1CC[O]2CC4)(CC(O)(C(F)(F)F)C(F)(F)F)C(c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].O(CC)CC
• Title of publication: Ring opening of a sterically crowded 1,2-oxaphosphetane complex.
• Authors of publication: Kyri, A. W.; Brehm, P.; Schnakenburg, G.; Streubel, R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 9
• Pages of publication: 2904 - 2909
• a: 11.7408 ± 0.0005 Å
• b: 18.5934 ± 0.0008 Å
• c: 20.0735 ± 0.0008 Å
• α: 86.722 ± 0.003°
• β: 74.872 ± 0.002°
• γ: 73.209 ± 0.003°
• Cell volume: 4049.1 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0959
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No