Information card for entry 4032601

Structure parameters

• Formula: C13 H5 F5 N2 O
• Calculated formula: C13 H5 F5 N2 O
• SMILES: Fc1c(/N=N/C(=O)c2ccccc2)c(F)c(F)c(F)c1F
• Title of publication: Preparation of Blatter Radicals via Aza-Wittig Chemistry: The Reaction of N Aryliminophosphoranes with 1-(Het)aroyl-2-aryldiazenes.
• Authors of publication: Savva, Anastasia C.; Mirallai, Styliana I.; Zissimou, Georgia A.; Berezin, Andrey A.; Demetriades, Marina; Kourtellaris, Andreas; Constantinides, Christos P.; Nicolaides, Constantinos; Trypiniotis, Theodossis; Koutentis, Panayiotis A.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• a: 7.369 ± 0.005 Å
• b: 7.894 ± 0.005 Å
• c: 10.285 ± 0.005 Å
• α: 80.949 ± 0.005°
• β: 79.134 ± 0.005°
• γ: 78.079 ± 0.005°
• Cell volume: 570.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0666
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No