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Information card for entry 7050540
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Coordinates | 7050540.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Common name | N-(2'-Ethoxyphenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12- dicarboximide |
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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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7050540.html
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Users of the data should acknowledge the original authors of the
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