Information card for entry 7126574

Structure parameters

• Formula: C12 H5 F3.33 N0.33 O0.67
• Calculated formula: C12 H5 F3.33333 N0.333333 O0.666667
• Title of publication: Overriding ortho selectivity by template assisted meta-C-H activation of benzophenones.
• Authors of publication: Casali, Emanuele; Kalra, Prakriti; Brochetta, Massimo; Borsari, Tania; Gandini, Andrea; Patra, Tuhin; Zanoni, Giuseppe; Maiti, Debabrata
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 53
• Pages of publication: 7281 - 7284
• a: 10.3014 ± 0.0004 Å
• b: 11.5202 ± 0.0005 Å
• c: 12.2962 ± 0.0006 Å
• α: 96.803 ± 0.004°
• β: 97.658 ± 0.004°
• γ: 98.459 ± 0.004°
• Cell volume: 1416.24 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0836
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No