Information card for entry 7112769

Structure parameters

• Formula: C22 H22 F O6 P W
• Calculated formula: C22 H22 F O6 P W
• SMILES: [C@@H]1(c2ccccc2)O[C@]2([C@@]([C@@H](C(=C2C)C)C)(C)[P@@]1(F)[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])C.[C@H]1(c2ccccc2)O[C@@]2([C@]([C@H](C(=C2C)C)C)(C)[P@]1(F)[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])C
• Title of publication: Competing ring cleavage of transient O-protonated oxaphosphirane complexes: 1,3-oxaphospholane and η2-Wittig ylide complex formation.
• Authors of publication: Marinas Pérez, Janaina; Albrecht, Carolin; Helten, Holger; Schnakenburg, Gregor; Streubel, Rainer
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 38
• Pages of publication: 7244 - 7246
• a: 10.4284 ± 0.0002 Å
• b: 6.5672 ± 0.0001 Å
• c: 33.0807 ± 0.0007 Å
• α: 90°
• β: 96.3597 ± 0.0009°
• γ: 90°
• Cell volume: 2251.6 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0261
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No