Information card for entry 4067410

Structure parameters

• Formula: C26 H27 O8 P W
• Calculated formula: C26 H27 O8 P W
• SMILES: [C@H]1([C@@]2([C@]3([C@@]2(C(=C([C@@]3(C)[P@]1(O)[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])C)C)C)C)C(=O)OCC)c1ccccc1
• Title of publication: Partial Ring-Opening and Rearrangement Reactions of P,C-Cages to Yield Unusual Phosphinous Acids Stabilized by Pentacarbonyltungsten
• Authors of publication: Bode, Maren; Schnakenburg, Gregor; Daniels, Jörg; Marinetti, Angela; Streubel, Rainer
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 3
• Pages of publication: 656
• a: 10.2703 ± 0.0002 Å
• b: 11.9683 ± 0.0002 Å
• c: 21.9 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2691.9 ± 0.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No