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Information card for entry 7224317
Preview
| Coordinates | 7224317.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H14 N2 O |
|---|---|
| Calculated formula | C12 H14 N2 O |
| SMILES | O=C1NC2(Nc3c1cccc3)CCCC2 |
| 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 | 10.318 ± 0.0016 Å |
| b | 12.0004 ± 0.0019 Å |
| c | 16.682 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2065.6 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0698 |
| Residual factor for significantly intense reflections | 0.0619 |
| Weighted residual factors for significantly intense reflections | 0.1957 |
| Weighted residual factors for all reflections included in the refinement | 0.2052 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.968 |
| 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. |
7224317.cif |
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Users of the data should acknowledge the original authors of the
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