Information card for entry 7114361

Structure parameters

• Formula: C52 H42 N O11 P4 W2
• Calculated formula: C52 H42 N O11 P4 W2
• SMILES: [W]([P@@]1(P([P@]([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(C(/N=1)=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].O(CC)CC.[W]([P@]1(P([P@@]([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(C(/N=1)=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].O(CC)CC
• Title of publication: Synthesis of the first 1,2,3,4-azatriphospholene complex
• Authors of publication: Hoffmann, Nils; Wismach, Cathleen; Jones, Peter G.; Streubel, Rainer; Huy, Ngoc Hoa Tran; Mathey, François
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 5
• Pages of publication: 454 - 455
• a: 13.5051 ± 0.0008 Å
• b: 14.5592 ± 0.0011 Å
• c: 14.8611 ± 0.0011 Å
• α: 85.462 ± 0.003°
• β: 79.491 ± 0.003°
• γ: 63.886 ± 0.003°
• Cell volume: 2579.7 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No