Information card for entry 4030222

Structure parameters

• Formula: C24 H19 F2 N O4
• Calculated formula: C24 H19 F2 N O4
• SMILES: FC(F)(N1OC(C1=O)(c1ccccc1)c1ccccc1)Cc1ccc(cc1)C(=O)OC
• Title of publication: Synthesis of gem-difluorinated nitroso compounds.
• Authors of publication: Smirnov, Vladimir O.; Struchkova, Marina I.; Arkhipov, Dmitry E.; Korlyukov, Alexander A.; Dilman, Alexander D.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 23
• Pages of publication: 11819 - 11823
• a: 8.5372 ± 0.0006 Å
• b: 10.4431 ± 0.0007 Å
• c: 12.236 ± 0.0008 Å
• α: 81.804 ± 0.001°
• β: 69.686 ± 0.001°
• γ: 82.905 ± 0.001°
• Cell volume: 1009.37 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0649
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No