Information card for entry 4125095

Structure parameters

• Common name: 2',4',5',7'-Tetrabromofluorescein N-ethoxy-2-methyl pyridinium salt
• Chemical name: Eosine N-ethoxy-2-methyl pyridinium
• Formula: C28 H19 Br4 N O6
• Calculated formula: C28 H19 Br4 N O6
• Title of publication: Metal-Free, Visible Light-Photocatalyzed Synthesis of Benzo[b]phosphole Oxides: Synthetic and Mechanistic Investigations.
• Authors of publication: Quint, Valentin; Morlet-Savary, Fabrice; Lohier, Jean-François; Lalevée, Jacques; Gaumont, Annie-Claude; Lakhdar, Sami
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 23
• Pages of publication: 7436 - 7441
• a: 26.4265 ± 0.0007 Å
• b: 11.8821 ± 0.0003 Å
• c: 19.8835 ± 0.0005 Å
• α: 90°
• β: 115.18 ± 0.001°
• γ: 90°
• Cell volume: 5650.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No