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Information card for entry 1560014
Preview
| Coordinates | 1560014.cif |
|---|---|
| Structure factors | 1560014.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 7,8-Dimethyl-11<i>H</i>-indeno[1,2-<i>b</i>]quinoxalin-11-one |
|---|---|
| Formula | C17 H12 N2 O |
| Calculated formula | C17 H12 N2 O |
| SMILES | O=C1c2c(c3nc4c(nc13)cc(c(c4)C)C)cccc2 |
| Title of publication | 7,8-Dimethyl-11<i>H</i>-indeno[1,2-<i>b</i>]quinoxalin-11-one |
| Authors of publication | Chen, Lin; Hu, Jin; Sun, Hong-Shun |
| Journal of publication | IUCrData |
| Year of publication | 2021 |
| Journal volume | 6 |
| Journal issue | 1 |
| Pages of publication | x210018 |
| a | 7.4548 ± 0.0009 Å |
| b | 22.976 ± 0.003 Å |
| c | 8.3149 ± 0.001 Å |
| α | 90° |
| β | 115.866 ± 0.003° |
| γ | 90° |
| Cell volume | 1281.5 ± 0.3 Å3 |
| Cell temperature | 282 K |
| Ambient diffraction temperature | 282.34 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0769 |
| Residual factor for significantly intense reflections | 0.0601 |
| Weighted residual factors for significantly intense reflections | 0.1427 |
| Weighted residual factors for all reflections included in the refinement | 0.1532 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301787 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/56 Each referenced PubChem compound corresponds to the full crystal structure. |
1560014.cif 1560014.hkl |
| 260888 | 2021-01-09 | cif/ hkl/ Adding structures of 1560014 via cif-deposit CGI script. |
1560014.cif 1560014.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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Users of the data should acknowledge the original authors of the
structural data.