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Information card for entry 7220497
Preview
| Coordinates | 7220497.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | oxazine |
|---|---|
| Formula | C18 H12 F N O3 |
| Calculated formula | C18 H12 F N O3 |
| SMILES | c12c(C(=O)C3=C(C1=O)CN(c1ccc(F)cc1)CO3)cccc2 |
| Title of publication | An efficient and confluent approach for the synthesis of novel 3,4-dihydro-2H-naphtho[2,3-e][1,3]oxazine-5,10-dione derivatives by a three component reaction in ionic liquid |
| Authors of publication | Khanna, Garima; Aggarwal, Komal; Khurana, Jitender |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 7.6164 ± 0.0005 Å |
| b | 8.17 ± 0.0008 Å |
| c | 12.1539 ± 0.0012 Å |
| α | 92.548 ± 0.008° |
| β | 103.893 ± 0.008° |
| γ | 108.383 ± 0.008° |
| Cell volume | 690.75 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0613 |
| Residual factor for significantly intense reflections | 0.0531 |
| Weighted residual factors for significantly intense reflections | 0.1405 |
| Weighted residual factors for all reflections included in the refinement | 0.1461 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 136946 (current) | 2015-05-19 | cif/ Adding structures of 7220497 via cif-deposit CGI script. |
7220497.cif |
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Users of the data should acknowledge the original authors of the
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