Information card for entry 7005253

Structure parameters

• Formula: C29 H33 O10 P5 W2
• Calculated formula: C29 H33 O10 P5 W2
• SMILES: [W]([P]1=C([P@]2([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])[C@@]3(P4P3C(=P[C@@]2([C@@]14C(C)(C)C)C)C(C)(C)C)C(C)(C)C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].[W]([P]1=C([P@@]2([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])[C@]3(P4P3C(=P[C@]2([C@]14C(C)(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: Differing reactivities of P?CMe and P?CBut towards a triphosphabenzene and a tetraphosphabarrelene: synthesis of new phosphaalkyne pentamers (P5C5MenBut5?n, n = 0, 1 or 2)
• Authors of publication: Jones, Cameron; Schulten, Christian; Stasch, Andreas
• Journal of publication: Dalton Transactions
• Year of publication: 2007
• Journal issue: 19
• Pages of publication: 1929
• a: 10.251 ± 0.002 Å
• b: 12.816 ± 0.003 Å
• c: 15.326 ± 0.003 Å
• α: 65.67 ± 0.03°
• β: 85.14 ± 0.03°
• γ: 82.35 ± 0.03°
• Cell volume: 1817.3 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No