Information card for entry 4324360

Structure parameters

• Formula: C20 H12 F6 N2 O2
• Calculated formula: C20 H12 F6 N2 O2
• SMILES: O=C1C=C(Nc2c(cccc2)C(F)(F)F)C(=O)C=C1Nc1c(cccc1)C(F)(F)F
• Title of publication: One-Pot Synthesis of Symmetric and Asymmetric p-Quinone Ligands and Unprecedented Substituent Induced Reactivity in Their Dinuclear Ruthenium Complexes
• Authors of publication: David Schweinfurth; Hari Sankar Das; Fritz Weisser; Denis Bubrin; Biprajit Sarkar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 1150 - 1159
• a: 9.961 ± 0.002 Å
• b: 11.829 ± 0.002 Å
• c: 15.068 ± 0.003 Å
• α: 90°
• β: 93.1 ± 0.03°
• γ: 90°
• Cell volume: 1772.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0613
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.308
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No