Information card for entry 1516058

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: 18.4823 ± 0.0008 Å
• b: 9.4251 ± 0.0003 Å
• c: 15.2278 ± 0.0005 Å
• α: 90°
• β: 114.313 ± 0.001°
• γ: 90°
• Cell volume: 2417.38 ± 0.15 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No