Information card for entry 4101526

Structure parameters

• Formula: C30 H40 O2 P2 Si2
• Calculated formula: C30 H40 O2 P2 Si2
• SMILES: c1(ccccc1)C(O[Si](C)(C)C)=Pc1c(C)c(C)c(P=C(c2ccccc2)O[Si](C)(C)C)c(c1C)C
• Title of publication: Phosphorus copies of PPV: pi-conjugated polymers and molecules composed of alternating phenylene and phosphaalkene moieties.
• Authors of publication: Wright, Vincent A; Patrick, Brian O; Schneider, Celine; Gates, Derek P
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 27
• Pages of publication: 8836 - 8844
• a: 9.769 ± 0.0012 Å
• b: 9.0886 ± 0.0008 Å
• c: 17.49 ± 0.002 Å
• α: 90°
• β: 94.19 ± 0.004°
• γ: 90°
• Cell volume: 1548.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No