Information card for entry 7126500

Structure parameters

• Formula: C9.6 H7.2 F0.8 N1.6 O2.4
• Calculated formula: C9.6 H7.2 F0.8 N1.6 O2.4
• Title of publication: A directing group-assisted ruthenium-catalyzed approach to access meta-nitrated phenols.
• Authors of publication: Sasmal, Sheuli; Sinha, Soumya Kumar; Lahiri, Goutam Kumar; Maiti, Debabrata
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 52
• Pages of publication: 7100 - 7103
• a: 13.7895 ± 0.0017 Å
• b: 20.62 ± 0.002 Å
• c: 3.8818 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1103.7 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1315
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No