Information card for entry 4071486

Structure parameters

• Formula: C38 H42 O5 P2 W
• Calculated formula: C38 H42 O5 P2 W
• SMILES: [W]([P]1(P(C1=C(c1ccccc1)c1ccccc1)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Diastereoselective Formation of Complexed Methylenediphosphiranes
• Authors of publication: Jansen, Helen; Rosenthal, Amos J.; Slootweg, J. Chris; Ehlers, Andreas W.; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 12
• Pages of publication: 2868
• a: 11.5587 ± 0.0001 Å
• b: 24.323 ± 0.0002 Å
• c: 15.4742 ± 0.0001 Å
• α: 90°
• β: 119.913 ± 0.0003°
• γ: 90°
• Cell volume: 3770.92 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0289
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections included in the refinement: 0.0479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No