Information card for entry 4068159

Structure parameters

• Formula: C15 H16 O8 P2 W
• Calculated formula: C15 H16 O8 P2 W
• SMILES: [W]([PH](P(=O)(OCC)OCC)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Revisiting the Phospha-Wittig‒Horner Reaction
• Authors of publication: Arkhypchuk, Anna I.; Santoni, Marie-Pierre; Ott, Sascha
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 3
• Pages of publication: 1118
• a: 9.9127 ± 0.001 Å
• b: 11.7673 ± 0.0012 Å
• c: 17.9264 ± 0.0018 Å
• α: 85.11 ± 0.001°
• β: 82.067 ± 0.001°
• γ: 75.66 ± 0.001°
• Cell volume: 2003.7 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0734
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No