Information card for entry 2018272

Structure parameters

• Chemical name: <i>N</i>-(2,4,6-Trifluorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboximide
• Formula: C24 H14 F3 N O2
• Calculated formula: C24 H14 F3 N O2
• SMILES: O=C1N(c2c(F)cc(F)cc2F)C(=O)[C@H]2[C@@H]1C1c3ccccc3C2c2ccccc12
• Title of publication: Three new fluorinated <i>N</i>-phenyl-substituted pentacyclic ethanoanthracenedicarboximides
• Authors of publication: Schwarzer, Anke; Weber, Edwin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o457 - o460
• a: 17.687 ± 0.002 Å
• b: 12.3369 ± 0.0014 Å
• c: 8.1066 ± 0.0009 Å
• α: 90°
• β: 95.716 ± 0.007°
• γ: 90°
• Cell volume: 1760.1 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1058
• 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: Yes