Information card for entry 7703907

Structure parameters

• Formula: C14 H15 O7 P W
• Calculated formula: C14 H15 O7 P W
• SMILES: [W]([P]1(C(=O)CCCC1=O)C(C)(C)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: 12.3442 ± 0.0002 Å
• b: 12.5495 ± 0.0002 Å
• c: 21.9424 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3399.17 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No