Information card for entry 7708712

Structure parameters

• Chemical name: AS-351
• Formula: C19 H21 Cl2 O5 P W
• Calculated formula: C19 H21 Cl2 O5 P W
• SMILES: [W]([P](Cl)(Cl)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: A homonuclear π-system with a singlet carbene-type alpha and a nucleophilic beta phosphorus – first use in P-heterocyclic synthesis
• Authors of publication: Schmer, Alexander; Welideniya, Dhanushi; Terschüren, Tatjana; Schnakenburg, Gregor; Daniels, Jörg; Bauza, Antonio; Frontera, Antonio; Streubel, R.
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 6.328 ± 0.0002 Å
• b: 21.6701 ± 0.0007 Å
• c: 16.6363 ± 0.0005 Å
• α: 90°
• β: 98.4653 ± 0.0016°
• γ: 90°
• Cell volume: 2256.45 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No