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Information card for entry 2243886
Preview
| Coordinates | 2243886.cif |
|---|---|
| Structure factors | 2243886.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diethyl (2<i>E</i>,2'<i>E</i>)-3,3'-[1-(8-phenylisoquinolin-1-yl)-1<i>H</i>-indole-2,7-diyl]diacrylate |
|---|---|
| Formula | C33 H28 N2 O4 |
| Calculated formula | C33 H28 N2 O4 |
| Title of publication | Crystal structure and Hirshfeld analysis of diethyl (2<i>E</i>,2'<i>E</i>)-3,3'-[1-(8-phenylisoquinolin-1-yl)-1<i>H</i>-indole-2,7-diyl]diacrylate |
| Authors of publication | Zhang, Xue-Jun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 9 |
| a | 7.6918 ± 0.0011 Å |
| b | 13.299 ± 0.002 Å |
| c | 14.13 ± 0.002 Å |
| α | 75.026 ± 0.002° |
| β | 81.728 ± 0.003° |
| γ | 79.838 ± 0.002° |
| Cell volume | 1367.1 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0596 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.1041 |
| Weighted residual factors for all reflections included in the refinement | 0.1181 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267989 (current) | 2021-08-07 | cif/ hkl/ Adding structures of 2243886 via cif-deposit CGI script. |
2243886.cif 2243886.hkl |
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