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Information card for entry 7224318
Preview
| Coordinates | 7224318.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H14 N2 O |
|---|---|
| Calculated formula | C15 H14 N2 O |
| SMILES | O=C1NC(Nc2c1cccc2)(c1ccccc1)C |
| Title of publication | Synthesis of 2,3-dihydroquinazolinones and quinazolin-4(3H)-one catalyzed by Graphene Oxide nanosheets in aqueous medium: “on-water” synthesis accompanied by carbocatalysis and selective C-C bond cleavage |
| Authors of publication | Das, Asish R.; Kausar, Nazia; Roy, Indranil; Chattopadhyay, Dipankar |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 8.56 ± 0.0003 Å |
| b | 8.8072 ± 0.0003 Å |
| c | 16.2462 ± 0.0006 Å |
| α | 90° |
| β | 93.334 ± 0.002° |
| γ | 90° |
| Cell volume | 1222.72 ± 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0703 |
| Residual factor for significantly intense reflections | 0.0603 |
| Weighted residual factors for significantly intense reflections | 0.1611 |
| Weighted residual factors for all reflections included in the refinement | 0.1779 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.876 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176750 (current) | 2016-02-19 | cif/ Adding structures of 7224316, 7224317, 7224318 via cif-deposit CGI script. |
7224318.cif |
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Users of the data should acknowledge the original authors of the
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