Information card for entry 4118626

Structure parameters

• Formula: C42 H42 P8
• Calculated formula: C42 H42 P8
• SMILES: C1CP(c2ccccc2)P(P1c1ccccc1)P(c1ccccc1)CCP(P1P(CCP1c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: P-N/P-P Bond Metathesis for the Synthesis of Complex Polyphosphanes
• Authors of publication: Kai-Oliver Feldmann; Jan J. Weigand
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 15443 - 15456
• a: 13.1401 ± 0.0015 Å
• b: 15.312 ± 0.002 Å
• c: 10.2692 ± 0.0012 Å
• α: 90°
• β: 94.958 ± 0.004°
• γ: 90°
• Cell volume: 2058.4 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• 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: 0.1025
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No