Information card for entry 7042061

Structure parameters

• Chemical name: PB-13
• Formula: C28 H17 F6 O6 P W
• Calculated formula: C28 H17 F6 O6 P W
• SMILES: [W]([P]1(OC(C1)(C(F)(F)F)C(F)(F)F)C(c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• 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: 14.539 ± 0.0008 Å
• b: 11.5901 ± 0.0006 Å
• c: 32.829 ± 0.0018 Å
• α: 90°
• β: 100.62 ± 0.0019°
• γ: 90°
• Cell volume: 5437.2 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.072
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No