Information card for entry 1556136

Structure parameters

• Formula: C22 H13 O2 P S
• Calculated formula: C22 H13 O2 P S
• Title of publication: Benzofuran-fused phosphole: synthesis, electronic, and electroluminescence properties.
• Authors of publication: Chen, Hui; Delaunay, Wylliam; Li, Jing; Wang, Zuoyong; Bouit, Pierre-Antoine; Tondelier, Denis; Geffroy, Bernard; Mathey, François; Duan, Zheng; Réau, Régis; Hissler, Muriel
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 2
• Pages of publication: 330 - 333
• a: 13.099 ± 0.001 Å
• b: 13.122 ± 0.002 Å
• c: 13.604 ± 0.002 Å
• α: 117.831 ± 0.004°
• β: 117.735 ± 0.004°
• γ: 91.969 ± 0.005°
• Cell volume: 1733.1 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No