Information card for entry 7703904

Structure parameters

• Formula: C11 H9 O7 P W
• Calculated formula: C11 H9 O7 P W
• SMILES: [W]([P]1(C(=O)CCCC1=O)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Phosphacycloalkyldiones: synthesis and coordinative behaviour of 6- and 7-member cyclic diketophosphanyls.
• Authors of publication: Pearce, Kyle G.; Simenok, Vladimir; Crossley, Ian R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 17
• Pages of publication: 5482 - 5492
• a: 6.89715 ± 0.00009 Å
• b: 12.94011 ± 0.00018 Å
• c: 15.83074 ± 0.0002 Å
• α: 90°
• β: 101.052 ± 0.0013°
• γ: 90°
• Cell volume: 1386.69 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0212
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.0507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No