Information card for entry 7005254

Structure parameters

• Formula: C31 H39 O9 P5 W2
• Calculated formula: C31 H39 O9 P5 W2
• SMILES: [W]123([P]4C5([P]1=[C]2(P(P1[P]5([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])C(C(C)(C)C)=C1C(C)(C)C)[C]3=4C(C)(C)C)C(C)(C)C)C)(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: 12.395 ± 0.003 Å
• b: 17.632 ± 0.004 Å
• c: 18.169 ± 0.004 Å
• α: 90°
• β: 107.19 ± 0.03°
• γ: 90°
• Cell volume: 3793.4 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0567
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No