Information card for entry 4341820

Structure parameters

• Formula: C58 H46 P6
• Calculated formula: C58 H46 P6
• SMILES: C12=CC(C=C1)=P(P=P(C1=CC(C=C1)=P(c1ccccc1)(P=P2(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)C1C=CCC=C1)(c1ccccc1)c1ccccc1
• Title of publication: Low-Valent Chemistry: An Alternative Approach to Phosphorus-Containing Oligomers.
• Authors of publication: Kosnik, Stephanie C.; Farrar, Gregory J.; Norton, Erin L.; Cooper, Benjamin F. T.; Ellis, Bobby D.; Macdonald, Charles L. B.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141201074418004
• a: 8.8331 ± 0.0007 Å
• b: 11.4721 ± 0.001 Å
• c: 12.3802 ± 0.001 Å
• α: 74.988 ± 0.001°
• β: 72.738 ± 0.001°
• γ: 80.527 ± 0.001°
• Cell volume: 1151.9 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No