Information card for entry 7208849

Structure parameters

• Formula: C16 H14 F N O2
• Calculated formula: C16 H14 F N O2
• SMILES: Fc1ccc(CC2(O)N(C(=O)c3c2cccc3)C)cc1
• Title of publication: Intermolecular photodecarboxylation of electron-deficient substrates by phthalimides in water: efficiency, selectivity and online monitoring
• Authors of publication: Griesbeck, Axel G.; Nazarov, Nestor; Neudörfl, Jörg M.; Heffen, Maria
• Journal of publication: Green Chemistry
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 3004
• a: 9.5984 ± 0.0004 Å
• b: 9.3308 ± 0.0007 Å
• c: 14.7806 ± 0.0012 Å
• α: 90°
• β: 100.934 ± 0.004°
• γ: 90°
• Cell volume: 1299.73 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No