Information card for entry 1556137

Structure parameters

• Formula: C22 H13 O3 P
• Calculated formula: C22 H13 O3 P
• SMILES: P1(=O)(c2c3ccccc3oc2c2oc3ccccc3c12)c1ccccc1
• 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: 7.544 ± 0.001 Å
• b: 17.023 ± 0.001 Å
• c: 26.006 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3339.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No