Information card for entry 4112298

Structure parameters

• Formula: C25 H21 O5 P W
• Calculated formula: C25 H21 O5 P W
• SMILES: [W]([P]1(C2=C(C3(C42CC4)CC3)C2(CC2)C21CC2)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Branched Phospha[7]triangulanes
• Authors of publication: J. Chris Slootweg; Marius Schakel; Frans J. J. de Kanter; Andreas W. Ehlers; Sergei I. Kozhushkov; Armin de Meijere; Martin Lutz; Anthony L. Spek; Koop Lammertsma
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 3050 - 3051
• a: 18.9647 ± 0.0001 Å
• b: 11.3278 ± 0.0001 Å
• c: 21.7733 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4677.52 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0378
• Weighted residual factors for all reflections included in the refinement: 0.0405
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No