Information card for entry 7050540

Structure parameters

• Common name: N-(2'-Ethoxyphenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12- dicarboximide
• Chemical name: N-(2'-Ethoxyphenyl)-9,10-dihydro-9,10- ethanoanthracene-11,12-dicarboximide
• Formula: C26 H21 N O3
• Calculated formula: C26 H21 N O3
• SMILES: O=C1N(C(=O)[C@@H]2C3c4c(cccc4)C(c4c3cccc4)[C@H]12)c1c(OCC)cccc1
• Title of publication: Structural studies of N-(2'-substituted phenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboximides by X-ray diffraction and NMR spectroscopy—proofs for CH/π interactions in liquid and solid phases
• Authors of publication: Gisbert Grossmann; Marek J. Potrzebowski; Sebastian Olejniczak; Natasza E. Ziółkowska; Grzegorz D. Bujacz; Wlodzimierz Ciesielski; Wiktor Prezdo; Valerii Nazarov; Vladislav Golovko
• Journal of publication: New J. Chem.
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 7
• Pages of publication: 1095 - 1101
• a: 10.9 ± 0.002 Å
• b: 12.637 ± 0.003 Å
• c: 15.214 ± 0.004 Å
• α: 90°
• β: 108.16 ± 0.02°
• γ: 90°
• Cell volume: 1991.2 ± 0.8 ų
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0481
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No