Information card for entry 7709458

Structure parameters

• Chemical name: PB-213
• Formula: C11 H13 O7 P W
• Calculated formula: C11 H13 O7 P W
• SMILES: [W]([PH]1OC(C(O1)(C)C)(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: 1,3,2-Diheterophospholane complexes: access to new tuneable precursors of phosphanoxyl complexes and P-functional polymers
• Authors of publication: Brehm, Philipp; Müller-Feyen , Anne Sophie; Schnakenburg, Gregor; Streubel, R.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 7.0371 ± 0.0003 Å
• b: 10.1674 ± 0.0004 Å
• c: 10.6647 ± 0.0004 Å
• α: 99.282 ± 0.003°
• β: 101.783 ± 0.003°
• γ: 91.016 ± 0.003°
• Cell volume: 736.17 ± 0.05 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0156
• Residual factor for significantly intense reflections: 0.0147
• Weighted residual factors for significantly intense reflections: 0.0347
• Weighted residual factors for all reflections included in the refinement: 0.035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No