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Information card for entry 1551690
Preview
| Coordinates | 1551690.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H15 N O3 |
|---|---|
| Calculated formula | C20 H15 N O3 |
| SMILES | O(Cc1c2cc(ccc2oc(=O)c1)C)c1c2ncccc2ccc1 |
| Title of publication | Crystal Structure of 6-Methyl-4-[(quinolin-8-yloxy)methyl]-2H-chromen-2-one |
| Authors of publication | REVANKAR, Hrishikesh; KULKARNI, Manohar V; KUMAR, G N Anil |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2013 |
| Journal volume | 29 |
| Journal issue | 0 |
| Pages of publication | 5 |
| a | 7.4641 ± 0.0002 Å |
| b | 12.1483 ± 0.0003 Å |
| c | 17.1084 ± 0.0004 Å |
| α | 90° |
| β | 99.667 ± 0.001° |
| γ | 90° |
| Cell volume | 1529.3 ± 0.07 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0479 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0897 |
| Weighted residual factors for all reflections included in the refinement | 0.0989 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216301 (current) | 2019-06-20 | cif/ Adding structures of 1551690 via cif-deposit CGI script. |
1551690.cif |
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