Information card for entry 7005255

Structure parameters

• Formula: C25 H45 P5
• Calculated formula: C25 H45 P5
• SMILES: P12[C@@]3(P1[C@](P=C2C(C)(C)C)(P1P3C(C(C)(C)C)=C1C(C)(C)C)C(C)(C)C)C(C)(C)C.P12[C@]3(P1[C@@](P=C2C(C)(C)C)(P1P3C(C(C)(C)C)=C1C(C)(C)C)C(C)(C)C)C(C)(C)C
• 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: 17.121 ± 0.002 Å
• b: 17.121 ± 0.002 Å
• c: 19.397 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5685.8 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No