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Information card for entry 4119953
Preview
| Coordinates | 4119953.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | n-Butylanthraceneimide |
|---|---|
| Formula | C20 H17 N O2 |
| Calculated formula | C20 H17 N O2 |
| SMILES | O=C1N(C(=O)c2cc3cc4ccccc4cc3cc12)CCCC |
| Title of publication | A π-Conjugated System with Flexibility and Rigidity That Shows Environment-Dependent RGB Luminescence |
| Authors of publication | Chunxue Yuan; Shohei Saito; Cristopher Camacho; Stephan Irle; Ichiro Hisaki; Shigehiro Yamaguchi |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2013 |
| Journal volume | 135 |
| Pages of publication | 8842 - 8845 |
| a | 17.309 ± 0.002 Å |
| b | 11.5835 ± 0.0014 Å |
| c | 7.4963 ± 0.0009 Å |
| α | 90° |
| β | 101.442 ± 0.002° |
| γ | 90° |
| Cell volume | 1473.1 ± 0.3 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.0405 |
| Residual factor for significantly intense reflections | 0.0388 |
| Weighted residual factors for significantly intense reflections | 0.1019 |
| Weighted residual factors for all reflections included in the refinement | 0.1035 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301833 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
4119953.cif |
| 178970 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/99. |
4119953.cif |
| 104629 | 2014-03-11 | cif/ Adding structures of 4119953 via cif-deposit CGI script. |
4119953.cif |
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Users of the data should acknowledge the original authors of the
structural data.