Information card for entry 7238682

Structure parameters

• Formula: C17 H13 Cl2 N O5
• Calculated formula: C17 H13 Cl2 N O5
• Title of publication: Oxidation of diclofenac catalyzed by manganese porphyrins: synthesis of novel diclofenac derivatives
• Authors of publication: Neves, Cláudia M. B.; Simões, Mário M. Q.; Domíngues, M.Rosário M.; Santos, Isabel C. M. S.; Neves, M.Graça P. M. S.; Paz, Filipe A. Almeida; Silva, Artur M. S.; Cavaleiro, José A. S.
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 19
• Pages of publication: 7427
• a: 10.851 ± 0.002 Å
• b: 10.951 ± 0.002 Å
• c: 14.929 ± 0.003 Å
• α: 87.827 ± 0.012°
• β: 84.53 ± 0.011°
• γ: 80.818 ± 0.011°
• Cell volume: 1742.8 ± 0.6 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: 0.1683
• Residual factor for significantly intense reflections: 0.0956
• Weighted residual factors for significantly intense reflections: 0.2254
• Weighted residual factors for all reflections included in the refinement: 0.2686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No