Information card for entry 7114799

Structure parameters

• Formula: C26 H20 O5 W
• Calculated formula: C26 H20 O5 W
• SMILES: [W]1234(C#[O])(C#[O])(C#[O])(C)[c]5([cH]4[cH]3[cH]2[cH]15)C(=C\C(=O)c1ccccc1)\CC(=O)c1ccccc1
• Title of publication: The first organo-tungsten pyrylium salt and structural characterization of its pseudobase
• Authors of publication: Haquette, Pierre; Salmain, Michèle; Marchal, Yann; Marsac, Yoann; Jaouen, Gérard; Cunningham, Desmond; Egan, Darren P.; McArdle, Patrick
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 16
• Pages of publication: 1504
• a: 9.952 ± 0.002 Å
• b: 10.753 ± 0.003 Å
• c: 12.567 ± 0.003 Å
• α: 66.63 ± 0.02°
• β: 71.183 ± 0.019°
• γ: 63.35 ± 0.02°
• Cell volume: 1086.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1553
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No