Information card for entry 1516059

Structure parameters

• Formula: C26 H16 Cl O6 P W
• Calculated formula: C26 H16 Cl O6 P W
• SMILES: [W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[P@@]1(C[C@@]2(c3ccccc3)c3ccccc3[C@]1(c1ccccc1)O2)Cl.[W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[P@]1(C[C@]2(c3ccccc3)c3ccccc3[C@@]1(c1ccccc1)O2)Cl
• Title of publication: A new route to a 2-phosphanaphthalene.
• Authors of publication: Mao, Yanli; Lim, Kelvin Meng Hui; Ganguly, Rakesh; Mathey, Francois
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 18
• Pages of publication: 4974 - 4975
• a: 8.1251 ± 0.0004 Å
• b: 12.1902 ± 0.0006 Å
• c: 25.1571 ± 0.0012 Å
• α: 90°
• β: 90.472 ± 0.001°
• γ: 90°
• Cell volume: 2491.6 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No