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Information card for entry 1551646
Preview
| Coordinates | 1551646.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H20 N2 O2 |
|---|---|
| Calculated formula | C22 H20 N2 O2 |
| SMILES | C\1(=C/C=C\2c3ccccc3N(C2=O)CC)C(=O)N(c2ccccc12)CC |
| Title of publication | Crystal Structure of 3,3′-Ethanediylidenebis(1-ethylindoline-2-one): An Unexpected Byproduct in <i>N</i>-Ethylation of Isatin in Tetrahydrofurane |
| Authors of publication | AKITA, Motoko; KASONO, Masaki; KOBAYASHI, Keiji |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2015 |
| Journal volume | 31 |
| Journal issue | 0 |
| Pages of publication | 11 |
| a | 8.7451 ± 0.0009 Å |
| b | 15.1964 ± 0.0013 Å |
| c | 6.9425 ± 0.0006 Å |
| α | 90° |
| β | 113.561 ± 0.002° |
| γ | 90° |
| Cell volume | 845.7 ± 0.14 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 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 significantly intense reflections | 0.0434 |
| Weighted residual factors for all reflections included in the refinement | 0.1188 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216257 (current) | 2019-06-20 | cif/ Adding structures of 1551646 via cif-deposit CGI script. |
1551646.cif |
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