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Information card for entry 7241658
Preview
| Coordinates | 7241658.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | EG607_200K |
|---|---|
| Formula | C22 H24 N4 O2 |
| Calculated formula | C22 H24 N4 O2 |
| SMILES | c12c(C(=O)/C(=C\3C(=O)c4c(N3)nccc4)N1CCCCCCCC)cccn2 |
| Title of publication | Synthesis and photophysical studies of an indigo derivative: N-octyl-7,7′-diazaindigo |
| Authors of publication | de Miguel, Gustavo; Garzón-Ruiz, Andrés; Navarro, Amparo; García-Frutos, Eva M. |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 69 |
| Pages of publication | 42014 - 42020 |
| a | 13.5359 ± 0.0014 Å |
| b | 5.1353 ± 0.0006 Å |
| c | 13.931 ± 0.002 Å |
| α | 90° |
| β | 103.691 ± 0.005° |
| γ | 90° |
| Cell volume | 940.8 ± 0.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1391 |
| Residual factor for significantly intense reflections | 0.064 |
| Weighted residual factors for significantly intense reflections | 0.1181 |
| Weighted residual factors for all reflections included in the refinement | 0.164 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 259576 (current) | 2020-12-06 | cif/ Adding structures of 7241658 via cif-deposit CGI script. |
7241658.cif |
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Users of the data should acknowledge the original authors of the
structural data.