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Information card for entry 7224096
Preview
| Coordinates | 7224096.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H21 N2 O3 |
|---|---|
| Calculated formula | C19 H21 N2 O3 |
| SMILES | N1=C(NCCC1)[C@@]12OC3=C(C(=O)CCC3)[C@@H]1c1c([C@@H]2O)cccc1.N1=C(NCCC1)[C@]12OC3=C(C(=O)CCC3)[C@H]1c1c([C@H]2O)cccc1 |
| Title of publication | Access of Indenofurans and Indenopyridines via Annulation of Heterocyclic Ketene Aminals, o-Phthalaldehyde and cyclic 1.3-diketones |
| Authors of publication | Shao, Xusheng; Sun, Feilong; Li, Z. |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 9.6907 ± 0.0009 Å |
| b | 21.234 ± 0.002 Å |
| c | 8.2891 ± 0.0008 Å |
| α | 90° |
| β | 95.872 ± 0.002° |
| γ | 90° |
| Cell volume | 1696.7 ± 0.3 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 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 | 0.0526 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.1205 |
| Weighted residual factors for all reflections included in the refinement | 0.1244 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 175410 (current) | 2016-02-02 | cif/ Adding structures of 7224096, 7224097 via cif-deposit CGI script. |
7224096.cif |
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Users of the data should acknowledge the original authors of the
structural data.