Information card for entry 4105401

Structure parameters

• Formula: C46 H78 O4 Si2
• Calculated formula: C46 H78 O4 Si2
• Title of publication: Conjugated Polymers with Large Effective Stokes Shift: Benzobisdioxole-Based Poly(phenylene ethynylene)s
• Authors of publication: Tanmoy Dutta; Kathy B. Woody; Sean R. Parkin; Mark D. Watson; Johannes Gierschner
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 17321 - 17327
• a: 8.7557 ± 0.0004 Å
• b: 11.6162 ± 0.0005 Å
• c: 23.5245 ± 0.0011 Å
• α: 85.6293 ± 0.0016°
• β: 80.2264 ± 0.0018°
• γ: 88.77 ± 0.002°
• Cell volume: 2350.96 ± 0.18 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1369
• Residual factor for significantly intense reflections: 0.1028
• Weighted residual factors for significantly intense reflections: 0.2535
• Weighted residual factors for all reflections included in the refinement: 0.2766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No