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Information card for entry 7224316
Preview
| Coordinates | 7224316.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H14 N3 O3 |
|---|---|
| Calculated formula | C14 H11 N3 O3 |
| SMILES | N1c2c(cccc2)C(=O)NC1c1ccc(N(=O)=O)cc1 |
| 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 | 6.9074 ± 0.0014 Å |
| b | 8.6886 ± 0.0019 Å |
| c | 10.502 ± 0.002 Å |
| α | 85.367 ± 0.011° |
| β | 89.74 ± 0.01° |
| γ | 79.832 ± 0.01° |
| Cell volume | 618.3 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1574 |
| Residual factor for significantly intense reflections | 0.0998 |
| Weighted residual factors for significantly intense reflections | 0.2841 |
| Weighted residual factors for all reflections included in the refinement | 0.3337 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.138 |
| 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. |
7224316.cif |
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Users of the data should acknowledge the original authors of the
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