Information card for entry 2215789

Structure parameters

• Chemical name: (E)-3-(2-Chloro-3,3,3-trifluoroprop-1-enyl)-N-(9,10-dioxo-9,10- dihydroanthracen-1-yl)-2,2-dimethylcyclopropanecarboxamide
• Formula: C23 H17 Cl F3 N O3
• Calculated formula: C23 H17 Cl F3 N O3
• SMILES: ClC(=C\[C@@H]1[C@H](C(=O)Nc2cccc3C(=O)c4ccccc4C(=O)c23)C1(C)C)/C(F)(F)F.ClC(=C\[C@H]1[C@@H](C(=O)Nc2cccc3C(=O)c4ccccc4C(=O)c23)C1(C)C)/C(F)(F)F
• Title of publication: (<i>E</i>)-3-(2-Chloro-3,3,3-trifluoroprop-1-enyl)-<i>N</i>-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-2,2-dimethylcyclopropanecarboxamide
• Authors of publication: Yan, Fan-Yong; Liu, Dong-Qing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4201 - o4201
• a: 8.127 ± 0.001 Å
• b: 8.1518 ± 0.0009 Å
• c: 15.821 ± 0.002 Å
• α: 79.518 ± 0.008°
• β: 88.256 ± 0.009°
• γ: 72.328 ± 0.008°
• Cell volume: 981.7 ± 0.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes