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Information card for entry 7241424
Preview
| Coordinates | 7241424.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H15 N3 O4 |
|---|---|
| Calculated formula | C14 H15 N3 O4 |
| SMILES | O=C(N/N=C/c1c(O)c(O)ccc1)c1ccncc1.OC |
| Title of publication | Effective methods for the synthesis of hydrazones, quinazolines, and Schiff bases: reaction monitoring using a chemometric approach |
| Authors of publication | Pisk, Jana; Đilović, Ivica; Hrenar, Tomica; Cvijanović, Danijela; Pavlović, Gordana; Vrdoljak, Višnja |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 63 |
| Pages of publication | 38566 - 38577 |
| a | 8.4964 ± 0.0004 Å |
| b | 14.0972 ± 0.0006 Å |
| c | 11.1992 ± 0.0005 Å |
| α | 90° |
| β | 95.924 ± 0.004° |
| γ | 90° |
| Cell volume | 1334.23 ± 0.1 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.0477 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.1024 |
| Weighted residual factors for all reflections included in the refinement | 0.1083 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258508 (current) | 2020-10-21 | cif/ Adding structures of 7241424, 7241425, 7241426, 7241427, 7241428, 7241429, 7241430, 7241431, 7241432 via cif-deposit CGI script. |
7241424.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.