Information card for entry 7033710

Structure parameters

• Formula: C19 H12 Cl O6 P W
• Calculated formula: C19 H12 Cl O6 P W
• SMILES: [W]([P@@]1(Cl)c2ccccc2c2ccccc2[C@H]1OC)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].[W]([P@]1(Cl)c2ccccc2c2ccccc2[C@@H]1OC)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: 6-Methoxy-5-phosphaphenanthrene: a molecule with an unreactive P[double bond, length as m-dash]C double bond.
• Authors of publication: Wang, Lili; Wang, Zhihua; Wang, Qiuyan; Duan, Zheng; Mathey, François
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 8
• Pages of publication: 3717 - 3719
• a: 12.4704 ± 0.0007 Å
• b: 11.0754 ± 0.0005 Å
• c: 14.5549 ± 0.0006 Å
• α: 90°
• β: 90.502 ± 0.005°
• γ: 90°
• Cell volume: 2010.17 ± 0.17 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 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: 0.0482
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No