Information card for entry 2001242

Structure parameters

• Chemical name: 1,2,4-Trifluoro-3-(trifluoromethyl)-6,8-dimethylphenazine
• Formula: C15 H8 F6 N2
• Calculated formula: C15 H8 F6 N2
• SMILES: Cc1cc(C)c2c(c1)nc1c(n2)c(F)c(c(c1F)F)C(F)(F)F
• Title of publication: 1,2,4-Trifluoro-6,8-dimethyl-3-trifluoromethylphenazine, C~15~H~8~F~6~N~2~, produced <i>via</i> thermolysis of perfluoro-4-azidotoluene in the presence of 2,4,6-trimethylaniline
• Authors of publication: Banks, R. E.; Madany, I. M.; Pritchard, R. G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 1988 - 1990
• a: 26.705 ± 0.004 Å
• b: 7.271 ± 0.001 Å
• c: 15.403 ± 0.004 Å
• α: 90°
• β: 118.19 ± 0.02°
• γ: 90°
• Cell volume: 2636.1 ± 1 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.061
• Goodness-of-fit parameter for significantly intense reflections: 2.483
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No