Information card for entry 7115389

Structure parameters

• Formula: C26 H15 F N O4 P W
• Calculated formula: C26 H15 F N O4 P W
• SMILES: c1(cc(cc2[p]1[W](C#[O])(C#[O])(C#[O])(C#[O])[n]1c2cccc1)c1ccc(cc1)F)c1ccccc1
• Title of publication: Tuning the electronic effects of aromatic phosphorus heterocycles: an unprecedented phosphinine with significant P(pi)-donor properties
• Authors of publication: Antonia Loibl; Iris de Krom; Evgeny A. Pidko; Manuela Weber; Jelena Wiecko; Christian Muller
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 8842
• a: 15.8144 ± 0.0016 Å
• b: 19.0204 ± 0.0017 Å
• c: 7.3213 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2202.2 ± 0.4 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1122
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No